data_2n48_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 2n48 _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 ' 19' ' ' VAL . . . . . . . . . . . . . 93.6 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.853 0.359 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.0 t -98.18 120.83 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.425 HG23 ' HG ' ' A' ' 30' ' ' LEU . 64.9 t -106.55 115.91 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.6 p -125.07 153.87 42.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -173.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -116.7 136.12 53.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -134.94 105.64 6.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.78 -121.86 12.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -170.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -105.49 5.65 31.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.825 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -110.76 166.0 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 82.3 mt -123.9 132.15 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.9 mt -118.68 124.22 72.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 9.5 mp -105.52 128.07 53.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -111.96 113.1 25.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.1 ptm -132.06 139.03 33.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.524 0.678 . . . . 0.0 110.877 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.28 140.02 17.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.312 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -74.86 -39.21 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -63.77 -28.25 69.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -170.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.98 -23.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 -19.51 12.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -167.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.77 158.56 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.436 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 39.0 t0 -61.73 152.05 32.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.4 p -75.14 -24.81 58.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.2 p -92.97 -25.64 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -173.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -155.17 157.65 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.04 64.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 171.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.4 m -110.4 125.22 53.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 170.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -66.42 134.54 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -172.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 98.1 mttt -91.15 160.12 38.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 170.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.27 -40.77 69.22 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.62 2.214 . . . . 0.0 112.343 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.99 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.25 -36.42 70.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.95 82.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.22 -43.42 91.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.6 m -64.21 -44.78 90.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.01 -32.47 74.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.6 m -65.39 -39.75 92.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 173.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.98 96.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.99 -41.65 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 111.119 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.542 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -59.81 -38.31 81.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 178.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.18 -24.53 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.79 -48.13 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 -173.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 HD21 HG11 ' A' ' 103' ' ' VAL . 36.9 tp -67.19 -35.03 78.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.06 -37.53 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -81.53 -20.63 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -113.83 82.34 6.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.81 -16.08 37.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.7 5.1 44.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -122.83 155.17 37.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.198 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.2 149.16 46.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.2 t -109.29 126.62 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -116.19 118.74 33.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.03 123.45 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.4 mt -127.44 125.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.479 ' HA3' HG12 ' A' ' 134' ' ' VAL . . . -124.05 157.82 18.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -149.99 146.2 26.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 0.0 110.897 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 169.9 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.12 -50.96 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -169.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.22 -43.3 96.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.1 tp -64.52 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -65.59 -38.65 90.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -59.2 -40.16 84.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.27 -44.33 79.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.49 -42.35 98.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.3 m -64.67 -40.31 95.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.467 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 67.1 tp60 -67.07 -36.0 81.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -65.04 -39.47 93.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -61.78 -40.09 93.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 172.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.573 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -62.23 -43.56 98.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -64.47 -37.48 87.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m -64.33 -39.89 94.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.31 -47.78 90.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.143 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.07 99.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -61.08 -44.67 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.21 -46.39 89.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 57' ' ' ALA . 95.7 mt -62.2 -44.96 95.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.7 -39.25 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.0 m -61.49 -33.0 73.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -86.05 7.93 22.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.5 9.7 56.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.464 HG11 HD21 ' A' ' 60' ' ' LEU . 85.0 t -80.62 129.25 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.152 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -58.52 126.56 28.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.55 -24.54 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.0 m -63.28 -24.37 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -100.64 -0.21 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -173.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.2 mt -101.97 124.62 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -126.07 121.88 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 175.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.573 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 66.0 p -131.35 146.79 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -141.87 135.75 29.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.467 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -95.11 115.0 5.0 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 174.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.6 tp -123.05 144.82 49.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 -177.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.54 -165.99 29.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.03 135.18 42.77 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -144.96 -45.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -144.81 73.22 15.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.534 0.683 . . . . 0.0 110.833 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.55 129.57 34.48 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.401 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 89.3 mt -55.95 -42.46 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.04 170.52 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.4 t -72.84 136.96 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -74.86 -2.01 24.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.7 p -76.75 -9.58 58.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.8 p -120.65 152.72 37.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.108 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.32 90.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.05 -40.74 87.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.846 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.55 96.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.479 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.96 -42.09 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.04 86.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.17 -33.22 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -77.99 -30.39 50.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -175.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.46 63.33 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -141.67 158.47 43.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.479 HG12 ' HA3' ' A' ' 72' ' ' GLY . 24.7 m -125.19 156.33 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -116.8 130.19 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.485 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 89.3 mt -113.23 120.83 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.6 m -107.92 121.71 45.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 47.0 tp -114.9 120.81 41.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.7 p -149.88 149.03 26.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.685 0.755 . . . . 0.0 110.88 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.98 127.44 26.35 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.625 2.217 . . . . 0.0 112.3 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 50.6 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -176.07 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.843 0.354 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -94.37 122.86 37.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.428 HG23 ' HG ' ' A' ' 30' ' ' LEU . 62.2 t -106.75 117.16 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -123.7 150.74 43.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.74 137.8 51.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -142.25 109.76 5.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.67 -124.04 30.21 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -105.01 18.53 22.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.942 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -125.63 165.57 18.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.2 mt -126.73 133.2 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.9 mt -119.57 124.79 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.428 ' HG ' HG23 ' A' ' 21' ' ' VAL . 10.6 mp -103.24 126.52 50.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.942 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -110.4 112.37 24.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 27.6 ptm -131.56 139.46 35.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.508 0.67 . . . . 0.0 110.918 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.423 ' HA ' ' HG2' ' A' ' 133' ' ' ARG . 44.0 Cg_endo -72.27 134.14 22.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.736 2.291 . . . . 0.0 112.394 -174.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -72.85 -40.01 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -64.17 -32.44 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -173.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -82.02 -28.61 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.2 p -109.05 -15.67 14.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -166.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -114.88 159.84 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.411 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 8.1 t70 -66.65 145.1 55.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.7 p -71.26 -25.97 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -90.72 -23.03 20.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -157.5 155.92 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.467 ' HB2' ' HG3' ' A' ' 90' ' ' ARG . . . -68.92 65.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 170.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.3 m -114.28 128.63 56.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.11 134.93 52.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -176.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 98.3 mttt -87.37 157.76 52.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.71 . . . . 0.0 110.908 171.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.3 -40.09 78.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.272 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.41 81.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.42 67.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.532 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.08 -34.99 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.65 0.262 . . . . 0.0 111.048 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.74 -43.59 92.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.4 m -64.45 -43.57 93.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 94' ' ' VAL . 89.2 mt -64.84 -32.63 74.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.1 m -64.76 -39.14 93.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 172.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.77 -42.0 96.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.4 -41.16 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 111.17 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.39 89.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.0 mmm -64.25 -26.36 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.0 t -88.93 -46.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.446 HD21 HG11 ' A' ' 103' ' ' VAL . 31.6 tp -64.71 -35.18 80.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.984 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.45 -36.65 84.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -68.27 -31.51 71.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -118.38 82.45 18.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.95 -9.12 25.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.07 11.08 19.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.7 p -125.17 155.11 40.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.31 155.76 36.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 p -109.75 129.57 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -118.64 124.1 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.48 125.33 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -174.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.4 mt -123.03 120.48 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -120.97 150.29 17.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.524 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -151.08 156.64 41.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 110.951 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.085 173.592 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -55.54 -50.75 69.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -173.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.33 -41.28 93.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.1 tp -64.97 -39.53 93.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.38 -45.3 91.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 68.3 ttp -65.34 -42.71 92.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.93 -43.24 79.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.0 -40.34 94.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -63.92 -39.29 93.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -67.74 -36.1 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -65.41 -41.59 93.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.467 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 99.9 mtt180 -65.04 -38.09 89.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 176.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.738 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -62.55 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 174.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.75 -36.66 84.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.0 m -64.82 -39.0 92.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.428 HG13 HD23 ' A' ' 53' ' ' LEU . 52.2 t -62.99 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 175.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.11 99.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.4 m -60.19 -44.12 95.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.88 91.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.078 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.77 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.2 -40.69 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.2 m -62.5 -33.61 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -87.79 11.16 16.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.42 9.54 55.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 164.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.446 HG11 HD21 ' A' ' 60' ' ' LEU . 97.9 t -82.11 129.63 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 111.154 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.16 129.37 41.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.37 -24.49 67.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.5 m -65.67 -21.83 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -94.37 -10.06 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.3 mt -101.37 125.8 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -174.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -129.73 126.64 38.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 167.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.738 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 68.6 p -127.06 143.03 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -138.08 134.58 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.829 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -117.16 132.5 10.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 170.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.4 tp -139.93 140.68 36.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.346 . . . . 0.0 110.903 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -69.8 -163.62 4.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.495 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.05 118.71 5.63 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.27 . . . . 0.0 112.302 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -136.43 -65.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -140.7 80.74 17.76 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.532 0.682 . . . . 0.0 110.798 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -67.0 139.84 52.55 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 -174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.27 -42.64 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -125.29 169.02 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.485 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 39.3 t -72.73 136.65 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -74.98 -9.46 58.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 77.7 p -75.65 -10.04 59.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -172.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.5 p -120.54 152.52 37.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.2 86.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.023 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.29 -40.04 93.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.17 -39.28 96.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.8 -44.71 93.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 110.865 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.97 99.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -69.51 -26.56 64.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -79.14 -20.94 47.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -87.06 62.59 7.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' A' ' 33' ' ' PRO . 69.0 mtm180 -136.74 157.03 47.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -175.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.7 p -127.3 143.3 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 176.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -113.45 129.93 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 88.4 mt -117.11 117.62 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.3 m -113.03 122.26 47.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -173.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.93 123.29 48.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 91.1 p -144.68 149.12 42.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.83 -175.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 78.2 Cg_exo -54.33 127.88 27.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.6 2.2 . . . . 0.0 112.31 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 43.7 tp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -177.761 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.861 0.363 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.7 t -95.35 126.27 40.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.4 t -107.68 119.97 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.163 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -122.69 135.88 54.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.48 136.6 48.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -142.82 109.27 5.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.28 -127.01 34.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.498 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.5 p-10 -97.94 5.26 49.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.808 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -116.09 170.46 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.3 tt -141.32 134.97 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -121.26 128.31 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.75 128.24 54.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -101.72 110.13 22.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.7 mtt -110.07 119.05 48.29 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.871 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HG2' HG23 ' A' ' 36' ' ' VAL . 90.4 Cg_endo -72.7 128.62 13.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 171.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -59.65 -26.96 65.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.49 -26.48 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -167.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.42 HG23 ' HG2' ' A' ' 33' ' ' PRO . 27.8 m -114.7 -15.12 10.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.4 m -95.51 -53.04 3.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -114.47 172.76 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.98 145.79 51.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 168.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -65.18 -23.98 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.2 p -108.2 -31.16 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.1 m -129.13 152.63 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -169.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.64 57.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.1 m -111.56 126.85 55.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.14 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 50' ' ' ALA . 28.1 tp -69.55 132.87 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.964 -170.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -86.19 157.89 55.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 169.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.59 -44.32 48.31 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.727 2.285 . . . . 0.0 112.376 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.34 83.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.57 -35.19 80.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.443 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.421 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -64.41 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.166 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.41 -48.23 80.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.3 m -66.83 -46.1 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.52 -32.49 74.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.9 m -65.18 -41.74 94.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.39 -40.18 98.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 174.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.49 -43.33 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 111.171 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.52 75.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 82.8 mtp -62.15 -18.48 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -99.37 -42.56 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.441 HD22 HD23 ' A' ' 138' ' ' LEU . 93.2 mt -66.67 -37.37 84.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.02 -45.53 94.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -82.61 -22.4 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -173.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -106.33 95.12 10.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.676 0.75 . . . . 0.0 110.882 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -76.48 179.62 6.23 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 55.02 35.24 24.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.6 m -127.45 134.87 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -174.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 139' ' ' SER . . . -103.18 138.27 40.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.439 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 60.2 t -109.23 126.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 176.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -118.55 114.95 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -108.27 118.64 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 92.0 mt -130.19 125.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 134' ' ' VAL . . . -111.42 150.99 17.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.543 172.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.426 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 29.6 p90 -139.45 141.0 37.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 0.0 110.889 -179.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.059 176.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -54.1 -46.8 72.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 -173.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.13 -45.46 94.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 55.6 tp -67.33 -37.22 82.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -63.99 -41.2 97.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -60.07 -39.12 84.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 173.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.61 -45.88 74.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.68 -41.6 99.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -62.33 -40.48 96.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HB2' ' HA3' ' A' ' 112' ' ' GLY . 73.2 tp60 -61.66 -44.58 96.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.79 -46.8 70.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.965 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -68.09 -37.94 81.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.91 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 175.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.66 -32.54 73.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.856 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.6 m -66.86 -36.25 81.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.23 -47.26 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.06 97.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.2 m -60.36 -42.56 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.51 80.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.46 -42.64 99.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.958 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 91.0 mt -67.02 -39.9 84.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.6 m -60.01 -33.72 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -89.97 13.54 14.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.51 9.97 32.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 160.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 86.8 t -84.66 129.84 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 111.176 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -60.52 132.33 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.62 -28.76 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 79.0 p -69.16 -15.1 63.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -87.56 -13.99 41.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.913 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.439 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 83.6 mt -114.95 134.81 56.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 -173.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -133.77 129.19 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 170.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.8 p -122.97 149.46 44.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -173.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -139.87 142.54 36.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 172.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.464 ' HA3' ' HB2' ' A' ' 88' ' ' GLN . . . -92.2 114.93 4.68 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.553 172.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 82.3 mt -128.6 154.62 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.57 -165.03 27.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.48 173.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.426 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 75.0 Cg_exo -50.53 133.3 37.58 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.94 -65.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -129.72 79.61 73.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.692 0.758 . . . . 0.0 110.89 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.32 156.86 60.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 97.4 mt -88.22 -48.2 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.553 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -135.37 163.93 28.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 -178.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.746 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.7 t -65.29 140.06 58.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -175.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -75.82 -2.46 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 83.8 p -78.0 -8.57 58.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.8 p -118.7 156.43 29.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.195 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.74 95.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.37 -38.93 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.746 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -65.11 -39.23 96.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.526 176.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.03 -41.1 97.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.894 0.378 . . . . 0.0 110.927 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.51 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -71.45 -20.37 62.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.9 -35.47 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -90.17 89.91 7.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -140.09 149.81 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -175.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.409 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 99.0 t -124.12 130.47 73.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 172.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -118.9 133.11 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 5.1 mp -111.84 124.77 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 90.7 m -108.97 123.74 49.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.441 HD23 HD22 ' A' ' 60' ' ' LEU . 36.5 mt -108.49 117.0 33.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -178.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.498 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 43.4 t -162.12 128.48 2.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.647 0.737 . . . . 0.0 110.951 -174.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.4 128.81 17.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 178.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.913 0.387 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.2 t -97.08 125.81 41.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -105.78 120.54 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.2 m -124.21 138.88 54.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -108.3 132.67 53.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 t -140.03 108.41 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.53 -124.95 30.39 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.46 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -93.95 -12.62 28.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -99.09 164.55 12.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.793 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.7 mt -128.75 131.17 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.114 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.68 123.48 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mp -107.43 127.34 53.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.91 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -101.4 110.49 22.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.9 mtt -111.22 124.38 32.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 -174.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -73.37 133.59 19.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 170.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -56.04 -31.45 63.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -58.22 -25.13 61.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -166.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -112.63 -14.98 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 -176.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.746 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 89.7 m -101.8 -54.17 2.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -123.08 -179.62 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -79.48 169.56 17.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 99.1 p -70.16 -27.62 64.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.4 p -125.86 -10.97 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.8 t -134.12 142.41 47.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 -170.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.553 ' HB1' ' HG3' ' A' ' 89' ' ' GLN . . . -79.15 60.76 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.088 171.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.4 m -105.5 118.59 36.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.2 174.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -64.73 132.38 49.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -169.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -95.0 160.21 31.44 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.593 0.711 . . . . 0.0 110.842 171.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -53.15 -48.74 20.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.328 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.746 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -69.26 -33.64 73.76 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 176.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.84 85.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -65.09 -44.22 89.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.4 p -71.75 -37.21 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -64.83 -33.78 76.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 174.379 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.1 m -65.42 -39.26 91.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 172.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.93 -42.07 98.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.04 -42.34 96.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 111.143 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.02 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.1 mtp -62.52 -21.99 65.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.3 t -93.28 -47.0 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.22 -40.13 86.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -67.19 -47.52 70.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -80.19 -25.2 39.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -172.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.04 87.41 28.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.671 0.748 . . . . 0.0 110.954 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.457 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 69.2 Cg_endo -70.16 177.15 6.15 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 94.6 mttt 70.18 19.07 6.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -177.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.1 p -123.87 148.35 46.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.66 139.13 50.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.97 132.17 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -113.12 122.9 48.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.12 116.85 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.0 mt -132.05 127.8 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.655 ' HA3' HG23 ' A' ' 134' ' ' VAL . . . -138.42 155.67 23.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -143.01 157.83 44.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.399 . . . . 0.0 110.902 -171.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.065 178.35 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.399 -0.28 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -58.59 -55.06 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.71 -43.51 88.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.28 -39.98 89.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -175.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -62.92 -43.65 98.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.4 mtp -64.39 -35.73 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.12 -42.14 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.9 -39.43 93.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -63.07 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -63.49 -43.05 98.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.553 ' HG3' ' HB1' ' A' ' 43' ' ' ALA . 62.6 tp60 -69.67 -43.14 73.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -64.32 -41.29 96.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.589 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -64.41 -42.1 96.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 175.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -69.77 -31.9 70.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.3 m -64.55 -36.32 83.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.95 -45.17 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.125 171.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.57 99.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.055 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -58.8 -42.36 88.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.97 -44.35 93.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.34 -41.96 99.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.58 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.5 m -61.98 -33.23 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.04 -0.5 51.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.17 10.55 36.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.7 t -83.13 128.05 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 111.158 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -64.4 133.38 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.13 -24.42 64.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.1 p -69.57 -17.95 63.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -92.02 -6.77 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.7 mt -112.95 133.69 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -175.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -132.97 131.78 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 168.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.589 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 73.3 p -127.71 145.16 50.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -139.86 131.56 27.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.07 87.83 1.57 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.8 mt -109.95 153.48 24.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -69.85 -178.91 23.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -55.11 133.84 60.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.24 -51.25 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -132.74 82.51 55.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.843 170.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -52.0 118.84 4.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.245 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.9 mt -55.59 -52.11 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -141.67 162.27 35.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 -176.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.737 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.4 t -67.45 138.38 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -78.83 0.91 25.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.4 p -76.65 -6.8 53.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.4 p -119.01 156.26 29.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 173.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.42 96.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.121 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -65.82 -40.99 92.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.737 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.99 -40.42 99.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.48 -41.02 84.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 177.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.9 -47.27 78.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -64.39 -27.25 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -176.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -77.35 -20.99 54.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -90.13 72.24 7.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -139.04 149.58 44.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -171.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.655 HG23 ' HA3' ' A' ' 72' ' ' GLY . 93.8 t -125.59 133.09 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 174.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -116.4 135.0 54.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -175.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 85.6 mt -115.68 122.74 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.5 m -114.53 123.5 49.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -173.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.68 128.2 53.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.5 t -148.78 119.86 4.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -174.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.52 131.13 40.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.371 171.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 176.909 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t -95.34 125.45 39.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.9 t -112.6 121.63 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.9 m -123.01 136.31 54.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -108.79 138.47 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -147.12 116.33 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.52 -126.34 41.87 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.524 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -99.5 10.8 40.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -122.09 171.7 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 tt -141.46 135.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.5 mt -119.95 126.97 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -104.94 124.2 49.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -104.13 116.05 31.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.405 ' SD ' HG22 ' A' ' 52' ' ' THR . 74.9 mtm -122.68 132.81 24.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.691 . . . . 0.0 110.892 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.8 143.98 63.43 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.709 2.272 . . . . 0.0 112.394 173.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -51.42 -35.81 40.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.42 -25.59 67.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -166.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.32 -20.63 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 -170.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.2 m -103.08 -47.02 4.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -115.33 176.33 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' HB3' ' H ' ' A' ' 42' ' ' SER . 25.6 t0 -78.42 161.36 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.809 175.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.4 p -67.85 -25.63 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -176.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.0 p -128.29 -13.64 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 -175.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.446 ' H ' ' HB3' ' A' ' 39' ' ' ASP . 30.1 t -127.31 143.06 51.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -173.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.9 59.61 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 168.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.5 m -114.58 126.47 54.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 173.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.49 136.35 54.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -89.79 160.0 42.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 171.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -50.45 -44.0 41.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.751 2.3 . . . . 0.0 112.257 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.05 79.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.074 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.95 -37.96 60.3 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.421 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.25 83.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.55 -44.52 93.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.405 HG22 ' SD ' ' A' ' 32' ' ' MET . 98.1 m -66.32 -40.18 89.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -62.84 -32.04 73.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 178.65 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.6 m -65.0 -40.22 94.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 172.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.97 -39.7 97.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.539 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.22 -42.28 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.18 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.51 -20.82 65.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.4 t -92.93 -48.61 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.6 -43.67 84.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.95 -47.26 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -80.61 -23.88 39.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -120.18 81.67 29.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.688 0.756 . . . . 0.0 110.879 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.469 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 41.3 Cg_endo -68.22 171.1 13.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.293 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 95.8 mttt 67.57 22.58 9.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -169.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 140' ' ' PRO . 90.5 m -120.7 134.3 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.13 137.53 42.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 -175.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -108.45 128.56 63.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -118.32 125.34 49.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -108.7 116.63 52.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.5 mt -130.29 128.63 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.525 ' HA3' HG23 ' A' ' 134' ' ' VAL . . . -142.74 157.94 26.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -141.35 146.64 36.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 0.0 110.88 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.063 172.124 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -54.95 -49.45 71.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 -173.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.85 -46.5 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -65.75 -43.21 89.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.877 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.1 ttm -57.63 -38.44 75.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.17 -43.35 82.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -60.84 -45.17 95.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.6 m -64.53 -35.95 82.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.92 -42.52 98.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 174.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -69.24 -41.32 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -61.57 -45.4 94.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.493 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -64.05 -42.79 96.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -69.99 -32.63 70.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.6 m -61.66 -41.54 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.42 -43.41 98.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.96 94.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -59.54 -42.44 92.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.21 92.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.81 -42.05 96.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.66 -41.11 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.04 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.5 m -63.31 -33.28 75.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -85.0 3.75 37.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.84 10.52 37.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 167.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -84.67 129.68 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.196 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -63.9 132.58 51.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.91 -23.54 65.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.5 p -72.06 -13.34 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -95.6 -5.23 43.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.2 mt -109.73 134.15 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 80.2 ttt-85 -134.99 122.12 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.957 171.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.493 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 73.7 p -122.09 148.08 45.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 -176.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.04 132.18 14.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.3 134.46 12.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.525 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 89.6 mt -130.95 146.9 52.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.954 0.407 . . . . 0.0 110.831 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.13 -166.27 28.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.473 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -58.98 135.83 69.3 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.97 -64.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -136.33 82.32 35.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.89 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -54.73 127.44 26.16 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.282 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.1 mt -55.15 -41.67 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.21 169.24 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.033 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.9 t -70.48 135.65 48.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -77.1 0.65 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.886 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.8 p -78.52 -7.31 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.9 p -119.07 153.74 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.2 94.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.107 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.39 -40.92 81.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.35 -39.86 98.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.89 -42.02 92.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.927 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.28 93.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -68.1 -28.36 67.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -75.03 -19.13 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.8 71.24 9.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -136.98 146.51 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.525 HG23 ' HA3' ' A' ' 72' ' ' GLY . 89.5 t -129.56 139.18 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 175.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -117.09 139.48 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -173.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.7 mt -114.56 126.56 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.9 m -109.72 124.78 51.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 81.8 mt -112.5 118.91 36.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.975 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.3 t -145.5 124.05 6.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.707 0.765 . . . . 0.0 110.89 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 72.6 Cg_endo -70.42 134.14 25.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.32 173.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 -176.444 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.559 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 52.3 m -99.67 121.44 41.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.847 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -111.55 120.45 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.1 m -121.35 135.79 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -118.67 138.55 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.2 t -147.41 110.98 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.88 -116.51 9.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.445 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -99.99 -13.9 18.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -96.72 169.99 9.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -172.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 tt -142.36 136.01 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -113.44 121.77 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.8 mt -108.14 115.61 30.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.559 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 39.6 t-20 -104.13 109.93 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.3 mmm -105.75 137.85 19.45 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.939 -175.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.407 ' HA ' ' HD2' ' A' ' 133' ' ' ARG . 76.2 Cg_endo -70.37 131.78 21.06 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.733 2.288 . . . . 0.0 112.312 170.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 132' ' ' ARG . 96.8 m-20 -66.17 -33.7 76.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -172.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -63.78 -23.51 67.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -164.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.7 m -108.74 -8.53 11.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.435 HG21 ' HA3' ' A' ' 49' ' ' GLY . 89.7 m -107.38 -46.86 3.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 -175.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.3 165.56 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -80.43 165.03 22.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.846 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.7 p -74.01 -26.51 60.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.0 p -99.88 -30.65 11.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.824 -172.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.5 p -152.76 161.15 42.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -176.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.514 ' HB1' ' HG2' ' A' ' 89' ' ' GLN . . . -74.58 70.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.163 174.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.7 m -109.09 124.96 51.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.82 132.98 48.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -170.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.46 160.02 33.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.879 170.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -50.67 -42.76 49.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.75 95.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.435 ' HA3' HG21 ' A' ' 37' ' ' THR . . . -70.23 -37.78 71.69 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.439 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.84 85.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.33 . . . . 0.0 111.174 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -63.89 -41.69 97.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 83.1 m -65.16 -44.68 87.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.453 HD23 HG13 ' A' ' 94' ' ' VAL . 58.3 mt -65.6 -29.08 69.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.3 m -62.95 -40.08 96.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.217 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.83 -42.1 99.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.01 -46.21 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 111.146 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.19 -35.29 80.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 62.1 tpp -62.51 -31.79 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.2 t -80.44 -46.68 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.8 mt -64.05 -41.82 97.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -68.71 -46.5 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.021 -173.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -82.75 -24.47 33.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.806 -173.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -119.81 82.04 26.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.76 0.791 . . . . 0.0 110.863 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 47.6 Cg_endo -69.5 -178.15 2.11 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 96.5 mttt 64.9 21.94 12.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -169.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 140' ' ' PRO . 67.8 m -123.92 132.34 53.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -175.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.45 138.0 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -111.61 132.75 59.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.42 132.29 54.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -114.7 123.7 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.2 mt -129.34 122.54 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -121.89 155.62 16.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 171.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -140.97 157.54 45.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.072 178.418 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -55.86 -50.44 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -43.91 91.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.5 tp -65.79 -40.1 91.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.38 -39.11 93.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.73 -39.2 90.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.46 -39.76 85.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.15 -38.04 89.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 173.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.6 m -65.75 -35.78 81.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.467 ' CA ' ' HA3' ' A' ' 112' ' ' GLY . 72.9 tp60 -64.1 -42.39 96.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.514 ' HG2' ' HB1' ' A' ' 43' ' ' ALA . 44.0 tt0 -64.88 -44.02 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 174.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -62.26 -45.09 94.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -65.01 -41.4 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -68.42 -32.1 71.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.8 m -62.02 -40.71 96.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.453 HG13 HD23 ' A' ' 53' ' ' LEU . 55.2 t -65.56 -45.78 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.04 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.0 m -61.13 -42.78 99.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.6 -45.51 90.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.582 ' HB3' HD12 ' A' ' 108' ' ' ILE . 0.6 OUTLIER -63.0 -41.49 99.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.572 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.99 -39.99 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 176.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.5 m -62.36 -32.61 73.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -81.9 -1.07 46.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.56 12.14 31.41 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 169.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.1 t -80.95 129.77 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -62.93 135.49 57.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.77 -24.98 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.7 p -68.38 -18.96 64.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -93.96 -7.36 43.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 98' ' ' LEU . 64.5 mt -117.86 125.03 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -139.42 112.06 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 173.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.502 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 63.6 p -128.37 149.13 50.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -172.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -139.92 145.53 38.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.467 ' HA3' ' CA ' ' A' ' 88' ' ' GLN . . . -89.96 118.88 5.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.0 mt -120.1 148.71 43.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.17 -170.71 41.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -62.37 131.47 34.2 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.643 2.229 . . . . 0.0 112.387 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.0 -64.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -174.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -132.71 81.26 59.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.661 0.744 . . . . 0.0 110.923 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.26 145.29 53.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.281 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.47 -50.18 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.23 163.59 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -175.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.656 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.2 t -68.01 141.96 56.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -73.32 -7.67 52.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.881 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -76.06 -7.04 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.0 p -118.41 155.51 30.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.37 95.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.116 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.2 -38.05 84.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.656 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.8 -39.81 98.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 178.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.54 -41.34 89.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 176.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.67 93.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -70.37 -25.44 63.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -78.88 -21.46 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.426 ' HB3' ' HB2' ' A' ' 34' ' ' ASN . 98.1 mtt180 -86.29 61.98 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 33' ' ' PRO . 52.5 mmm-85 -128.27 144.6 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -178.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.9 139.93 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.138 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -113.88 128.43 56.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.4 mt -115.8 119.49 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.6 m -111.95 124.1 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.9 mp -110.59 126.52 54.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.5 t -145.21 124.7 6.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.97 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 73.5 Cg_endo -70.14 128.7 16.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.283 174.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -175.17 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.86 0.362 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -93.09 127.77 38.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -106.6 120.05 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.3 m -121.77 136.18 54.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -110.75 139.46 46.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.1 t -147.4 116.39 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.8 -124.69 36.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -102.26 10.07 39.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -118.49 170.77 8.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 tt -141.77 135.24 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.6 mt -120.49 127.75 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.16 119.74 40.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -104.19 109.34 21.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.1 ptp -120.1 129.83 25.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.871 -174.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HA ' ' HD2' ' A' ' 133' ' ' ARG . 91.6 Cg_endo -74.4 143.84 31.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -56.17 -33.33 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.91 -28.37 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -166.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.31 -21.54 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -171.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 94.5 m -96.39 -52.07 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -115.68 169.52 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.86 144.84 56.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 169.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.3 p -65.11 -24.99 67.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.9 p -107.94 -20.5 13.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -173.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -138.31 145.01 40.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 -172.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.429 ' HB3' ' HG3' ' A' ' 90' ' ' ARG . . . -72.01 57.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.069 168.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.5 m -112.43 125.2 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 50' ' ' ALA . 31.2 tp -68.73 132.48 46.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -169.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -92.05 159.71 37.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.866 172.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -51.91 -44.41 45.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.36 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.16 82.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.79 -35.95 73.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -65.0 -36.67 85.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 111.199 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.35 -44.35 95.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.0 m -66.54 -42.93 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -64.67 -29.61 70.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.2 m -64.74 -38.23 90.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.37 -41.13 99.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.535 172.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.55 -43.29 98.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 111.156 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.11 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.014 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.5 tpp -58.78 -24.26 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 177.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -93.2 -48.29 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 -174.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.59 -37.23 71.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -67.93 -43.36 79.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 -175.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -81.06 -29.64 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -120.1 84.37 33.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.682 0.753 . . . . 0.0 110.892 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 58.3 Cg_endo -72.43 165.88 31.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.224 . . . . 0.0 112.316 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 89.1 mttt 71.8 32.94 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -174.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 140' ' ' PRO . 94.4 m -111.99 135.79 52.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.205 176.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.442 ' HB3' HD12 ' A' ' 141' ' ' LEU . . . -87.02 133.16 33.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.415 ' HB ' ' H ' ' A' ' 109' ' ' ARG . 67.4 t -115.85 124.94 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 -176.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -122.11 110.48 15.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.813 171.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.29 115.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.5 mt -131.04 122.13 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.1 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.596 ' HA3' HG23 ' A' ' 134' ' ' VAL . . . -120.07 161.27 14.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 171.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -146.05 150.31 35.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.89 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.078 177.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -60.16 -54.98 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.906 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.79 -41.34 95.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.6 tp -65.99 -40.0 90.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.67 -38.81 89.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.3 mmm -72.43 -39.58 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.78 -37.14 81.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.1 mt -66.2 -39.89 89.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -62.28 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.9 -44.07 86.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -70.05 -41.67 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.429 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 91.1 mtt-85 -64.53 -41.16 96.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.489 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -62.77 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -70.1 -31.47 69.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -64.8 -35.15 80.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.98 -46.41 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.76 99.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.2 m -59.55 -43.58 93.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.46 91.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.066 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.69 -40.84 96.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.93 -40.18 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.035 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -62.92 -33.03 74.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -82.12 -0.06 42.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.34 11.21 36.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 170.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.8 t -85.26 127.34 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -59.54 133.57 56.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.14 -25.91 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.091 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.0 p -71.28 -17.37 62.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -92.67 -4.97 52.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 51.5 mt -116.38 131.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.415 ' H ' ' HB ' ' A' ' 68' ' ' VAL . 53.0 mtm180 -133.02 140.93 47.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.827 172.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 59.9 p -134.62 152.78 52.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -176.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -139.72 126.31 20.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 170.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.04 85.54 1.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.544 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.5 mt -101.63 155.87 17.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.84 -173.31 45.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.18 137.16 54.89 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.658 2.238 . . . . 0.0 112.443 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -129.83 -58.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -132.33 78.6 67.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 172.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.66 144.03 76.77 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' A' ' 130' ' ' GLN . 96.6 mt -75.15 -54.48 14.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 -173.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.511 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -137.47 160.36 39.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -175.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.661 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.4 t -67.18 141.48 57.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.0 p30 -74.4 -1.56 21.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.961 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.3 p -76.7 -7.65 55.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.3 p -117.78 154.09 32.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 172.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.26 94.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.12 -41.57 90.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.661 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -61.42 -39.37 97.19 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.523 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.99 -42.5 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.26 -44.0 89.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.404 ' HB3' ' HB ' ' A' ' 119' ' ' ILE . 99.4 mm-40 -66.01 -22.76 66.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -80.94 -21.54 40.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.73 71.28 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 33' ' ' PRO . 39.9 mmm-85 -130.32 144.98 51.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -171.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.596 HG23 ' HA3' ' A' ' 72' ' ' GLY . 92.5 t -127.91 134.77 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 170.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -119.72 134.36 55.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.8 mt -112.35 123.66 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.2 m -109.3 121.94 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.108 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 51.0 mt -115.55 121.1 41.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 43.7 t -143.24 118.95 6.47 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 56.3 Cg_endo -70.77 134.24 25.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.617 2.211 . . . . 0.0 112.268 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.442 HD12 ' HB3' ' A' ' 67' ' ' ALA . 99.2 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.3 t . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.9 t -90.15 126.16 35.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -106.41 120.47 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.1 m -120.17 133.63 55.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -115.58 139.0 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -149.25 116.07 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.72 -123.26 32.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.498 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -102.09 9.51 40.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -119.36 170.97 8.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 tt -141.17 135.17 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.5 mt -115.59 124.95 72.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.7 mt -107.92 120.45 42.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -103.1 108.31 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.482 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 64.7 mtt -108.98 132.22 21.32 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 -170.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.495 ' HA ' ' HD3' ' A' ' 133' ' ' ARG . 34.0 Cg_exo -62.09 133.88 46.42 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.658 2.238 . . . . 0.0 112.395 174.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.46 -31.0 72.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 174.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.3 -23.94 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.42 HG23 ' HB2' ' A' ' 33' ' ' PRO . 23.2 m -114.25 -15.48 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.631 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 96.0 m -101.36 -50.56 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.059 -175.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -111.2 172.0 7.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 42' ' ' SER . 36.2 t0 -80.2 154.31 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 170.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.3 p -73.27 -24.38 60.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -106.43 -19.85 13.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -173.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 29.6 t -147.2 148.78 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -173.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.66 59.84 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 168.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.5 m -117.37 129.48 55.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.37 137.27 55.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -171.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.64 160.17 50.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.852 168.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -50.2 -46.07 30.41 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.614 2.209 . . . . 0.0 112.372 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.631 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -74.13 -38.44 47.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.434 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.97 84.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.204 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -66.02 -42.01 90.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -64.87 -44.18 90.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.229 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.1 mp -63.32 -34.56 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 176.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 83.4 m -65.54 -40.39 92.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 174.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.81 -41.51 96.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.82 -41.33 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 173.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.454 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -61.97 -37.24 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.6 mmt -64.36 -22.78 67.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.795 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.6 t -87.33 -44.04 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.89 -33.54 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -75.38 -40.99 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 -174.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -78.25 -30.73 48.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -123.03 77.78 51.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.684 0.754 . . . . 0.0 110.922 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.454 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 57.2 Cg_endo -73.12 -178.52 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.6 2.2 . . . . 0.0 112.313 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 88.8 mttt 72.33 34.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -176.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.6 m -126.19 138.36 53.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 139' ' ' SER . . . -93.77 136.68 33.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 -175.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.14 124.91 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.03 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -119.66 116.4 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 173.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.52 117.99 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.3 mt -131.66 125.67 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.437 ' HA3' HG23 ' A' ' 134' ' ' VAL . . . -111.48 151.5 17.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.559 173.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.465 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 46.4 p90 -136.47 141.74 43.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.02 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -58.43 -54.45 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.68 -42.66 95.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.6 tp -65.93 -37.8 86.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -62.2 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 99.3 mtp -63.19 -40.47 97.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.59 -43.28 85.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.64 -39.16 93.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.0 t -61.68 -40.53 95.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.462 ' HB2' ' HA3' ' A' ' 112' ' ' GLY . 71.7 tp60 -62.06 -44.66 96.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.909 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.78 -44.32 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -65.53 -39.39 91.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.404 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -63.56 -41.6 98.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 174.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.64 -32.98 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.8 m -63.75 -36.96 85.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.66 -47.2 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.099 173.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.95 98.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.5 m -58.05 -42.7 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.99 80.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 57' ' ' ALA . 98.3 mt -62.38 -44.05 97.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.9 mt -65.01 -40.78 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 m -63.63 -34.49 77.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -82.62 -0.3 46.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.11 11.91 24.91 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 167.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.1 t -84.74 128.12 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.145 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -57.96 124.6 19.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.14 68.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.5 p -65.67 -18.2 65.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 -170.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -95.33 -5.66 42.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -177.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 79.4 mt -109.47 131.43 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -132.23 134.81 45.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.404 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 58.2 p -122.54 149.27 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -177.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -139.63 130.21 25.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.786 174.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.462 ' HA3' ' HB2' ' A' ' 88' ' ' GLN . . . -85.36 91.86 1.73 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.517 172.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 72.4 mt -106.82 156.24 18.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.63 -164.75 29.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.465 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 34.0 Cg_endo -61.87 136.37 61.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.405 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.98 -64.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -130.73 79.54 71.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.614 0.721 . . . . 0.0 110.853 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -66.86 140.65 56.08 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.27 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.466 ' HB ' ' HB3' ' A' ' 130' ' ' GLN . 97.3 mt -65.69 -46.77 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -178.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.487 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -137.17 160.81 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.764 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 31.4 t -65.96 141.26 58.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.802 -175.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -76.11 -1.55 26.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -76.48 -8.6 57.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.2 p -120.3 156.97 30.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.39 94.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.24 -38.12 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.764 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.91 -37.96 94.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.596 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.04 -40.17 96.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 175.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.21 90.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.466 ' HB3' ' HB ' ' A' ' 119' ' ' ILE . 99.6 mm-40 -71.17 -25.85 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -65.1 -34.59 78.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.04 80.45 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.495 ' HD3' ' HA ' ' A' ' 33' ' ' PRO . 90.3 mmt-85 -137.82 148.51 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -173.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.437 HG23 ' HA3' ' A' ' 72' ' ' GLY . 79.9 t -125.85 137.44 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -116.59 136.96 52.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -175.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.0 mt -112.0 124.68 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.1 m -108.94 123.8 49.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -175.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 58.5 mt -110.55 120.09 41.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.54 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 47.1 t -155.21 118.19 2.43 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.763 0.792 . . . . 0.0 110.888 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.81 122.6 9.26 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.623 2.216 . . . . 0.0 112.311 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.705 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 52' ' ' THR . 81.0 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.009 0.433 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.8 t -92.71 126.07 37.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.8 t -107.87 120.38 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.6 m -123.29 135.28 54.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.21 139.46 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -144.54 109.24 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.54 -123.24 28.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.513 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -95.13 -5.15 44.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -109.66 168.57 9.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.0 tt -142.14 135.04 28.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.9 mt -119.71 127.84 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.5 mp -107.81 127.29 53.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -102.45 108.79 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.7 mtt -106.75 123.85 37.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.923 -171.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HG2' HG23 ' A' ' 36' ' ' VAL . 84.4 Cg_endo -75.37 132.53 15.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 173.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.533 ' HB2' ' HB2' ' A' ' 38' ' ' PHE . 2.4 p-10 -59.64 -26.35 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 178.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.93 -27.76 65.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -168.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.44 HG23 ' HG2' ' A' ' 33' ' ' PRO . 33.9 m -119.94 -14.97 8.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.032 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.891 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 97.5 m -100.86 -52.2 3.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -175.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.533 ' HB2' ' HB2' ' A' ' 34' ' ' ASN . 77.6 m-85 -108.76 -178.5 3.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.663 ' HB3' ' O ' ' A' ' 42' ' ' SER . 39.9 t0 -77.58 161.83 27.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 167.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.2 p -74.18 -26.44 60.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.5 p -107.48 -26.05 11.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.799 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.663 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 96.0 p -144.01 159.89 41.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -170.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.579 ' HB1' ' HG2' ' A' ' 89' ' ' GLN . . . -75.99 61.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 169.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.1 m -108.75 119.38 39.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 170.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.45 136.97 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.62 160.35 39.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 168.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -51.58 -47.24 27.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.85 95.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.891 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -74.8 -38.13 42.96 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.419 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.04 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 111.114 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.87 -41.26 95.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.446 HG22 HG22 ' A' ' 19' ' ' VAL . 89.5 m -65.83 -42.48 90.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.225 175.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.74 -33.35 75.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.5 m -64.44 -39.88 94.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.219 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.4 97.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.492 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.09 -41.35 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.11 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.97 78.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.6 mtp -62.37 -20.6 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.2 t -94.82 -47.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.166 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.98 -38.97 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -63.12 -42.05 99.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.049 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 97.0 mt-10 -84.68 -28.24 26.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.772 -175.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -109.21 92.36 11.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.699 0.762 . . . . 0.0 110.928 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 93.7 Cg_endo -80.11 176.01 9.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.4 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 94.0 mttt 71.55 25.76 3.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 174.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.9 p -122.37 151.63 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 175.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -108.28 134.57 50.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 68.0 t -109.58 125.88 66.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 177.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -114.97 119.03 35.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -106.69 117.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.2 mt -132.62 128.45 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 134' ' ' VAL . . . -109.83 152.61 17.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 172.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.462 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 44.8 p90 -137.56 142.9 41.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.908 0.385 . . . . 0.0 110.943 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.448 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -53.97 -51.18 64.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 110.993 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.31 -43.81 93.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.21 -35.54 78.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -66.08 -41.03 91.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 97.8 mtp -58.89 -39.4 81.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.32 -45.32 73.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.24 -42.25 99.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 174.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -61.19 -40.1 92.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.408 ' HB2' ' HA3' ' A' ' 112' ' ' GLY . 72.6 tp60 -61.64 -42.38 98.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 177.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.579 ' HG2' ' HB1' ' A' ' 43' ' ' ALA . 40.0 tt0 -66.87 -48.51 68.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -66.46 -36.29 82.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.39 97.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.72 -32.66 73.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.8 m -63.09 -37.44 87.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.802 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.17 -48.87 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.184 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.08 97.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.048 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.1 m -58.26 -45.75 87.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.04 80.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.147 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.81 -40.55 95.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.17 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.3 m -62.22 -32.47 73.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.65 -0.68 48.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.34 9.9 30.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 169.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.88 127.79 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.136 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -60.95 131.4 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.06 -24.42 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.2 p -68.98 -14.26 62.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -90.3 -18.23 25.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.47 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 73.1 mt -122.53 134.56 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 -173.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -135.66 148.86 49.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 169.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.7 p -126.59 149.2 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -142.17 127.54 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 171.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' A' ' 88' ' ' GLN . . . -82.84 114.07 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 175.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 90.0 mt -126.18 155.45 41.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.38 -163.25 9.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.433 174.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.462 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 35.3 Cg_endo -62.99 137.4 62.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.8 -65.01 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -125.8 84.69 60.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -68.33 160.51 48.73 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.689 2.26 . . . . 0.0 112.311 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.0 mt -94.5 -45.28 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.632 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -142.09 163.53 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.604 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 37.8 t -63.31 137.32 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.771 -174.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -77.39 1.74 18.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.4 p -76.31 -7.28 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.9 p -118.56 156.58 28.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.253 173.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.69 92.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.12 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.52 -41.96 92.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.632 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -63.42 -44.18 97.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -60.36 -43.45 96.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.43 -48.83 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.6 -29.89 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -172.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -72.17 -18.15 61.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.4 ttp-105 -86.02 85.0 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 73' ' ' TYR . 90.3 mmt-85 -140.97 155.32 46.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -172.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.408 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 92.8 t -125.3 133.06 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 170.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -114.77 136.96 52.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.8 mp -113.36 124.74 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 87.3 m -107.73 123.33 48.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.094 -176.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.572 ' C ' HD21 ' A' ' 138' ' ' LEU . 6.5 tt -113.57 113.26 24.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 43.6 t -134.69 120.07 14.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 110.9 -173.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.96 122.84 9.46 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -176.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.5 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -92.32 128.39 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.3 t -104.86 121.4 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -121.5 137.07 54.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -108.67 133.78 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.6 t -143.07 109.23 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.39 -124.01 33.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.445 -176.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -99.46 7.57 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.822 0.344 . . . . 0.0 110.843 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -120.89 167.36 12.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.1 mt -127.45 133.65 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.8 mt -112.92 122.5 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.1 mt -106.66 116.05 31.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -102.3 108.68 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.8 ptp -122.85 128.84 25.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.953 -175.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.24 146.0 44.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.44 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -55.6 -29.19 58.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.834 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.81 -25.88 66.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 m -112.22 -19.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.2 m -108.74 -49.67 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -174.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.41 178.85 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.912 -174.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -67.78 167.61 13.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 166.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.7 p -62.52 -29.09 70.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -172.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.1 p -136.72 -11.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 -174.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -120.97 156.73 31.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 -162.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.04 51.29 2.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.5 m -112.81 125.08 53.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.81 140.46 53.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -84.64 158.41 59.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 165.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.42 -45.12 35.99 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.56 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.072 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.13 -38.36 59.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.96 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.204 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.39 -42.92 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.8 m -63.49 -45.15 92.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.0 mt -65.32 -29.64 70.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.5 m -64.77 -40.29 95.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 172.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.62 -39.73 96.94 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.98 -41.45 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.99 79.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.017 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.01 -21.99 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.6 t -92.27 -46.0 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.089 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.14 -40.6 94.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -66.26 -46.06 78.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.975 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -78.53 -25.67 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.76 85.64 28.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.46 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 73.8 Cg_endo -71.71 177.11 7.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 94.9 mttt 70.46 16.64 7.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.6 p -122.35 148.27 45.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.153 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.74 139.39 48.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.7 130.25 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 173.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -120.07 130.25 54.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.8 t -111.7 121.53 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.1 mt -128.34 121.8 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.42 151.72 16.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -144.15 149.6 36.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.938 0.399 . . . . 0.0 110.939 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 -174.382 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.56 -48.43 72.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 110.835 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.05 -47.84 75.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.0 tp -65.81 -40.25 91.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -66.98 -38.82 86.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.9 ttp -54.98 -39.02 68.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 170.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.57 -43.08 85.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.29 -39.15 89.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.0 t -60.84 -39.88 90.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.61 -42.39 95.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -68.3 -42.52 79.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.53 -37.5 87.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.42 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.23 -41.71 94.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.7 m -63.74 -41.4 98.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.86 -44.98 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.18 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.89 98.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -61.49 -43.79 98.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.08 90.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.1 -42.95 99.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.34 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m -62.94 -34.97 78.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -84.31 1.87 42.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.03 10.06 30.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 166.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.59 128.45 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.224 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.05 133.69 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.43 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.7 p -70.0 -19.22 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -90.91 -5.78 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.812 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 58.9 mt -106.97 125.18 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.178 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -135.24 114.65 12.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.1 p -128.91 146.78 50.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -136.86 145.53 44.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 171.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.38 102.16 1.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.3 tp -117.03 123.8 47.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.85 -167.61 23.65 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.35 129.38 33.74 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.669 2.246 . . . . 0.0 112.424 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.01 -48.87 2.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -134.63 96.73 14.8 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.69 0.757 . . . . 0.0 110.891 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -53.78 146.99 42.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.298 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.1 mm -86.89 -49.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.519 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -145.02 167.89 21.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.037 176.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.1 t -65.82 135.07 54.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -77.56 2.46 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.1 p -75.77 -6.95 53.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 175.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.7 p -118.64 152.86 35.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.152 172.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.16 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.6 -41.77 79.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.519 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -62.42 -38.98 97.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.509 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.6 -43.64 93.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.65 -45.54 75.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.29 -24.94 66.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.89 -20.26 63.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -90.21 80.09 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -136.77 151.49 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.3 t -127.45 138.2 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -118.48 130.24 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 81.5 mt -117.46 125.47 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.144 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 95.7 m -113.8 124.78 53.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -172.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 mp -107.37 122.85 47.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.405 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 46.6 t -144.34 121.0 6.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.711 0.767 . . . . 0.0 110.893 -171.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 32.6 Cg_exo -57.92 132.64 50.88 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 171.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 176.764 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 30' ' ' LEU . 11.4 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.897 0.38 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -86.24 123.34 31.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.812 178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -104.95 123.7 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 -171.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.5 m -120.66 138.16 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.22 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -99.91 127.58 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.895 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.0 t -136.17 101.62 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.86 -124.67 31.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -173.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -98.81 10.13 41.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 174.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -109.11 160.38 16.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.15 129.7 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -111.33 119.39 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 86.2 mt -108.14 125.61 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -178.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -108.05 112.27 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 175.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.8 ttp -121.55 121.55 28.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.478 0.656 . . . . 0.0 110.876 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.426 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 59.2 Cg_endo -71.26 135.91 27.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.385 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -69.32 -39.99 77.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.813 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -73.6 -20.58 60.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -169.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.426 ' HB ' ' HG2' ' A' ' 33' ' ' PRO . 97.7 t -88.28 -29.54 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 76.2 p -112.31 -19.08 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -172.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.48 159.03 25.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 172.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.471 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 68.0 t0 -62.14 129.67 41.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 176.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.9 p -63.47 -21.46 66.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.2 m -88.32 -39.1 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.3 p -146.93 159.79 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -173.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.2 63.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.1 m -113.69 126.88 55.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 166.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.58 134.79 56.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 95.2 mttt -82.64 155.23 68.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.958 171.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.53 -42.86 59.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.634 2.222 . . . . 0.0 112.375 174.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.76 76.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.63 81.56 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.25 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.095 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.32 -43.75 90.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.3 m -61.14 -46.5 90.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.54 -32.24 73.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.0 m -64.72 -40.05 94.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.22 -44.48 98.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.453 173.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.0 t -57.36 -40.33 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.083 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.54 99.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.073 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.7 mmm -64.67 -27.94 69.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.821 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.7 t -80.66 -43.52 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.17 -32.63 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.98 -36.43 75.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.3 -29.96 66.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -114.27 80.9 6.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.65 155.47 62.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 68.11 40.52 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.8 p -127.81 162.6 26.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -109.44 132.29 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.62 127.01 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -118.22 123.11 44.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.3 t -113.41 123.12 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.08 119.76 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.68 143.37 16.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.556 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -144.24 154.98 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.947 0.403 . . . . 0.0 110.897 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.18 -179.599 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -57.14 -53.15 61.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.818 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.5 -41.49 96.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.0 tp -64.42 -43.74 93.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.79 -44.16 96.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.417 ' SD ' ' HA ' ' A' ' 113' ' ' LEU . 62.8 tpp -63.07 -44.17 96.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.976 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.37 -45.77 68.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -175.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mp -67.56 -39.37 84.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.9 m -62.75 -41.23 99.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.765 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.455 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 73.0 tp60 -67.6 -35.85 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -66.35 -39.08 88.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -64.29 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.727 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -62.14 -40.9 97.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -64.06 -37.4 87.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.5 m -65.97 -38.51 88.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.93 -46.46 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.148 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.67 98.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.5 m -60.08 -43.58 95.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.09 86.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.1 -41.43 99.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.97 -41.54 92.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.7 m -62.67 -32.93 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -85.07 1.6 47.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.33 12.07 40.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.598 166.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.1 t -84.73 127.23 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.775 0.321 . . . . 0.0 111.129 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -56.87 128.37 36.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.39 69.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.8 p -68.97 -18.21 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -92.36 -8.22 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.8 mt -106.23 128.36 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -173.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -130.52 124.37 31.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.727 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 55.2 p -125.76 149.1 48.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -175.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -145.26 128.43 16.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.835 173.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.455 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -90.87 133.25 11.7 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 167.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.417 ' HA ' ' SD ' ' A' ' 84' ' ' MET . 89.0 mt -129.4 149.88 51.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.969 0.414 . . . . 0.0 110.876 177.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.69 -157.7 6.89 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 165.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -63.95 124.0 12.84 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.602 2.201 . . . . 0.0 112.363 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.26 -45.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -140.56 81.95 16.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.917 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.32 142.55 73.3 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 47.0 pt -103.43 -20.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 -174.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -136.76 168.43 19.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.4 t -71.06 133.36 46.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -71.6 -15.33 62.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.5 p -80.15 -6.13 57.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 90.4 m -114.45 139.64 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.85 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 -174.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.2 -39.99 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.3 -46.3 79.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.549 -175.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -65.13 -32.13 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.831 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.31 96.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.1 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -69.4 -26.86 64.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.1 -11.98 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.784 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -87.42 81.48 7.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 171.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -143.65 147.4 34.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -169.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.78 139.51 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -113.67 132.32 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.518 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 4.9 mp -117.3 122.15 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -111.23 125.58 53.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.201 -176.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.482 ' C ' HD21 ' A' ' 138' ' ' LEU . 6.6 tt -107.96 115.46 30.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.9 t -136.98 118.24 11.05 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.725 0.774 . . . . 0.0 110.849 -175.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.07 134.82 65.87 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.663 2.242 . . . . 0.0 112.438 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.929 -179.531 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -96.73 123.54 40.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.9 t -105.24 122.33 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.7 m -119.91 136.0 54.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -103.34 132.73 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 171.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.3 t -141.1 102.76 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.23 -124.03 29.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.5 -171.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -99.56 1.22 43.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.741 0.305 . . . . 0.0 110.92 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -110.12 166.09 11.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -173.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.79 131.93 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.6 mt -117.39 121.81 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.4 mt -108.67 122.23 46.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -110.04 114.04 27.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.1 mtm -113.0 130.3 23.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.52 0.676 . . . . 0.0 110.858 -176.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -73.88 143.41 33.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.313 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -53.55 -40.08 65.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.32 -20.06 65.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -170.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.5 t -104.38 -26.69 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 -175.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.0 m -90.12 -51.24 5.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -171.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -116.63 153.17 32.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.8 146.53 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -67.6 -25.91 66.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.1 p -89.46 -15.78 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -168.41 145.32 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.51 63.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 170.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.7 m -111.84 133.59 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 164.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.33 135.08 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -172.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -79.08 154.94 77.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.546 0.689 . . . . 0.0 110.84 171.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 -40.07 66.41 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.364 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.12 -31.0 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.13 -36.85 44.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.488 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.32 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.041 175.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.42 -40.55 97.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 177.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -62.7 -44.28 96.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 mt -67.3 -28.06 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.2 m -64.04 -40.61 96.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 170.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.476 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -62.26 -38.79 96.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 172.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.17 -44.46 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 173.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.401 ' HB2' ' HE3' ' A' ' 61' ' ' LYS . . . -60.82 -39.4 88.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 175.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.45 -22.27 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 55' ' ' GLY . 93.6 t -94.57 -45.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.195 -175.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.03 -33.78 76.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 57' ' ' ALA . 95.7 mttt -71.92 -35.89 69.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -178.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.38 -31.26 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -119.97 83.68 31.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.675 0.75 . . . . 0.0 110.904 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -67.13 -15.67 47.02 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.627 2.218 . . . . 0.0 112.391 -175.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -92.58 26.31 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 p -124.57 151.02 45.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.435 ' HB3' HD13 ' A' ' 141' ' ' LEU . . . -115.94 148.59 39.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.079 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.67 131.31 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -117.62 120.22 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.2 t -106.3 117.52 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 71' ' ' ILE . 18.4 tt -127.16 127.24 69.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.48 142.91 15.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -147.51 149.76 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.974 0.416 . . . . 0.0 110.984 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 166.485 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -54.41 -46.55 73.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.23 -46.12 90.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.0 tp -64.99 -40.24 94.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -62.58 -51.28 67.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.8 ttm -47.85 -45.31 29.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 171.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.17 -45.98 89.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -174.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.15 -38.26 90.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.956 173.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.9 m -62.62 -39.54 94.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.79 -39.29 91.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -68.98 -47.8 64.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -175.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -65.97 -35.06 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.35 95.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.075 175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -67.28 -34.07 76.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m -64.05 -39.63 94.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.41 -42.9 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 173.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.77 85.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.7 m -61.23 -43.09 99.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.25 94.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.104 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 69.1 mt -59.71 -43.27 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.51 -40.83 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 175.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.9 m -64.02 -32.19 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.79 7.51 23.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 -177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.9 8.9 57.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 170.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.34 128.43 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 111.098 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -57.9 124.79 20.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.85 70.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.5 p -70.11 -19.04 63.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -90.46 -4.75 56.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.1 mt -102.33 134.14 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 -175.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -127.05 133.19 50.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 170.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.6 p -114.38 140.07 48.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -140.13 154.0 46.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.3 144.54 12.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.499 HD21 ' N ' ' A' ' 113' ' ' LEU . 2.6 pt? -152.57 160.79 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 177.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.2 -156.84 19.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.602 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -49.24 125.12 12.89 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.761 2.308 . . . . 0.0 112.272 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.08 -67.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -132.28 119.66 16.65 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.628 0.728 . . . . 0.0 110.936 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.84 146.17 41.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.6 mt -100.19 -46.1 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.15 168.0 16.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 174.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 t -67.58 133.22 49.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -174.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.7 -6.65 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 p -74.18 -9.3 58.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.8 p -121.4 153.39 37.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.183 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.65 81.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.72 -42.18 86.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.55 -40.3 97.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -60.95 -42.31 97.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 0.0 110.964 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.63 99.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -68.4 -25.8 65.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -76.94 -16.72 59.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -90.36 84.55 6.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.89 155.55 48.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -175.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.9 t -123.53 136.08 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 171.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -117.02 130.03 56.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -169.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.1 mt -117.76 123.28 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.9 m -114.77 124.35 51.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.065 -173.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.15 121.56 45.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 91.5 p -147.16 149.15 34.27 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.646 0.736 . . . . 0.0 110.766 -173.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.31 135.14 59.55 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.638 2.226 . . . . 0.0 112.381 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 67' ' ' ALA . 47.4 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.892 0.377 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -97.76 125.4 42.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.6 t -103.51 119.97 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.078 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -122.01 139.56 53.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -107.18 131.18 54.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 173.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -136.24 100.28 4.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.764 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.08 -127.71 35.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 -171.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.73 0.6 56.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 174.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -96.98 151.94 19.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.1 mt -122.46 124.39 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.3 mt -121.07 124.94 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mp -106.04 130.16 54.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 175.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -109.41 116.06 31.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 28.2 ttt -120.23 127.6 26.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.856 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 32' ' ' MET . 73.4 Cg_exo -54.9 138.74 78.24 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.289 -177.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -64.78 -32.99 74.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -69.48 -16.73 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 33' ' ' PRO . 33.4 m -113.51 -6.52 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 -178.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.8 m -95.86 -44.73 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -121.04 153.81 36.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 8.4 t70 -67.19 145.94 54.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -66.84 -24.42 66.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.5 p -93.16 -16.87 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -161.25 141.58 10.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.79 60.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 168.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.5 m -111.65 131.12 55.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 168.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.68 133.37 53.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -170.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 96.1 mttt -79.85 157.05 74.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.521 0.677 . . . . 0.0 110.858 172.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.96 -40.56 58.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.64 -33.49 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.84 -37.66 43.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.562 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.94 89.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.074 175.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.03 -41.93 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -62.27 -45.42 93.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 175.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.6 mt -64.83 -32.31 73.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 178.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.3 m -65.65 -39.97 91.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.44 -40.74 94.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 171.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.88 -40.66 87.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.773 0.321 . . . . 0.0 111.077 172.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.23 -40.84 78.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.9 mmm -63.81 -23.56 67.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.5 t -91.6 -45.08 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.226 -173.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD21 HG13 ' A' ' 103' ' ' VAL . 48.0 tp -63.51 -33.88 76.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.58 -40.66 95.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 177.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.74 -35.97 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -120.06 80.01 26.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.731 0.777 . . . . 0.0 110.843 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.15 -6.11 18.44 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.599 2.199 . . . . 0.0 112.351 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -92.21 17.1 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.4 p -122.7 158.43 30.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.616 ' HB3' HD13 ' A' ' 141' ' ' LEU . . . -116.08 144.88 43.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.126 177.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.03 123.0 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -116.74 115.4 25.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 175.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.38 125.01 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.52 131.46 72.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.22 144.84 15.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 172.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -149.98 159.84 44.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.009 0.433 . . . . 0.0 110.92 -175.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.407 HG21 ' HG2' ' A' ' 132' ' ' ARG . 98.1 m . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.182 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 115' ' ' PRO . 81.2 t60 -54.8 -47.14 74.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.06 -49.65 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.17 -40.73 94.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -63.83 -50.26 69.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.4 ttp -49.97 -41.66 47.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 172.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.45 -45.99 81.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.83 -36.54 79.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 172.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 m -65.25 -38.82 91.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -60.35 -38.28 83.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 173.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -67.28 -40.68 86.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -57.6 -43.89 85.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 173.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.65 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -60.83 -44.96 96.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.08 -41.66 92.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 m -64.08 -39.34 93.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.15 -48.83 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.563 ' HB3' HG22 ' A' ' 110' ' ' THR . . . -60.14 -41.75 93.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.4 m -59.54 -47.24 86.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.05 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.35 -47.84 84.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.912 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.27 -40.32 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.1 m -62.99 -35.14 79.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 175.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -84.99 9.96 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.01 7.67 59.56 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 167.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.487 HG13 HD21 ' A' ' 60' ' ' LEU . 96.3 t -79.66 128.48 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 111.11 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -52.59 119.07 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.411 ' HA ' HD13 ' A' ' 108' ' ' ILE . . . -59.02 -34.13 71.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.5 p -71.0 -17.72 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -174.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -94.55 -8.7 37.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 105' ' ' ALA . 82.4 mt -92.81 133.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 -178.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -126.96 129.89 49.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 164.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.65 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 69.1 p -121.7 140.92 51.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.187 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -137.75 152.06 48.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.24 131.48 5.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.39 170.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.8 tp -142.64 141.47 31.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.08 -161.63 5.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.535 176.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 80' ' ' HIS . 78.9 Cg_exo -50.46 127.97 22.0 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.738 2.292 . . . . 0.0 112.364 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.96 -67.37 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -133.54 116.54 13.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.968 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.56 148.72 67.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.595 2.197 . . . . 0.0 112.372 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.0 mt -97.35 -49.15 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.54 168.68 15.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 172.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.404 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 41.5 t -65.72 132.57 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -171.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -74.45 -5.31 41.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 176.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 74.4 p -74.91 -9.03 58.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 59.7 p -121.13 155.14 35.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.25 87.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.035 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.29 -42.37 88.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -63.59 -41.43 99.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -62.36 -42.81 99.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.91 95.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -72.96 -21.12 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -175.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -74.54 -16.2 60.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.407 ' HG2' HG21 ' A' ' 74' ' ' THR . 97.2 mtt180 -90.18 83.51 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -128.05 160.72 31.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.787 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 99.4 t -121.55 139.97 47.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 170.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -114.93 130.06 56.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -167.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 85.5 mt -113.71 119.57 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 173.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.8 m -113.0 125.01 53.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -175.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 58.4 tp -111.92 123.06 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.421 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 89.2 p -147.05 149.81 36.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -178.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 73.6 Cg_exo -54.25 136.82 69.71 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.612 2.208 . . . . 0.0 112.415 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 67' ' ' ALA . 51.5 tp . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.97 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.6 t -97.47 123.77 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.08 123.4 62.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.3 m -120.39 135.93 54.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -101.6 128.16 48.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 172.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -137.0 103.4 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.94 -122.46 24.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -172.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -96.23 -9.04 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.322 . . . . 0.0 110.898 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -103.5 167.3 9.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -171.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.3 mt -122.04 134.04 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.5 mt -113.24 121.73 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 176.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.439 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 58.9 mt -107.16 123.51 48.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -107.4 109.24 20.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 89.2 mtp -111.18 138.35 21.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.527 0.68 . . . . 0.0 110.879 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.37 132.4 19.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.296 171.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -63.17 -26.51 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.822 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -58.76 -28.3 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 -167.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.4 m -110.36 -7.57 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -172.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.4 p -96.31 -51.84 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -151.19 172.04 16.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -92.66 117.33 29.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.1 p -52.14 -24.84 7.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.5 m -64.56 -42.77 95.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -161.84 139.09 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.88 80.68 1.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -168.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.5 m -105.41 122.67 46.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 166.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.13 127.49 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.77 157.9 51.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.528 0.68 . . . . 0.0 110.855 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.03 -44.12 52.82 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.57 86.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.09 -36.02 64.26 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 176.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.58 87.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 111.102 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.59 -46.82 84.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.4 m -69.11 -42.22 76.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.86 -34.76 79.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.983 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.8 m -64.36 -37.55 87.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 171.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.488 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -59.83 -39.31 95.25 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 172.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.25 -41.44 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 172.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.03 88.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.33 -22.14 66.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 55' ' ' GLY . 84.9 t -87.85 -43.55 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.61 -35.47 80.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -71.62 -36.12 70.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -72.67 -34.97 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 176.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.01 79.97 42.49 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.693 0.759 . . . . 0.0 110.924 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.01 -8.21 22.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.234 . . . . 0.0 112.371 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -90.2 12.31 18.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.4 p -121.41 152.11 39.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.18 151.81 34.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.46 131.17 64.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -120.1 115.18 23.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 172.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.8 t -113.09 124.1 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -176.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.5 mt -124.08 124.94 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.87 140.2 15.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -159.53 164.77 34.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.937 0.398 . . . . 0.0 110.939 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.8 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.099 171.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -55.0 -47.38 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.01 -47.5 80.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.09 -42.93 96.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.67 -45.27 90.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 60.5 ttm -54.46 -42.37 70.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.09 -42.78 93.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -177.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.17 -37.28 82.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 172.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.5 m -68.25 -34.54 76.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -60.86 -36.71 79.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 176.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.04 -40.53 96.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -63.09 -41.56 99.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.51 85.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.52 -40.79 96.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.4 m -65.07 -42.1 94.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.1 -47.02 86.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.01 96.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -61.94 -43.87 97.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.77 86.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.079 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.18 -42.14 98.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.915 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.61 -40.57 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.8 m -63.14 -32.79 74.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -86.1 7.31 25.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.98 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.5 9.94 56.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.498 167.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -83.59 129.62 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.912 0.387 . . . . 0.0 111.107 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -57.71 125.54 23.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.06 -26.75 64.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.096 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.5 m -65.85 -26.36 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -89.58 -6.02 56.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -176.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.7 mt -102.07 130.28 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -174.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -127.57 129.88 48.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 166.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.7 p -128.28 147.57 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.166 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -147.33 141.46 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -114.87 128.02 7.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.1 mt -130.07 156.49 44.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.948 -175.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -73.53 -165.63 10.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.61 167.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -48.28 127.04 14.74 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.98 -68.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -127.99 101.31 22.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.879 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -78.25 163.45 27.63 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.278 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.4 mt -96.84 -47.48 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.58 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -137.83 170.05 16.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.083 -174.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.7 t -64.86 138.13 58.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -174.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.13 -4.91 41.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.8 p -76.26 -8.15 56.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.2 p -119.14 152.89 35.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.33 90.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.86 -41.63 91.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.58 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -64.86 -40.56 97.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -60.79 -43.57 97.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.985 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.18 97.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -70.81 -29.85 66.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -173.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -73.97 -6.85 49.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -169.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -84.91 84.81 7.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 172.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -127.5 145.22 50.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.754 -167.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.78 139.93 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 173.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -114.35 131.14 56.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -170.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.439 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 88.1 mt -117.7 120.24 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 173.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.3 m -110.85 124.33 51.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 83.2 mt -113.98 118.33 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 175.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 89.3 p -142.59 147.8 44.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 -173.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 52.9 Cg_exo -54.94 139.07 79.13 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.691 2.261 . . . . 0.0 112.298 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.893 -178.604 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.845 0.355 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 t -96.87 116.22 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -104.73 121.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.116 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.2 m -122.54 137.41 54.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.161 -174.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -98.92 126.69 44.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 172.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.5 t -136.14 102.93 5.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 -175.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.98 -124.68 28.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.547 -171.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -95.31 -4.76 44.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -109.02 166.36 10.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -128.08 132.37 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.5 mt -118.22 126.07 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.17 114.23 27.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.984 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -111.09 118.98 37.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.9 ptp -121.17 145.64 42.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.579 0.704 . . . . 0.0 110.881 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.54 145.6 37.81 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.306 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -57.27 -35.06 69.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.21 -25.83 68.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -163.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -108.17 -14.88 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.1 m -101.37 -48.94 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -168.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -122.68 152.14 40.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 66.1 t0 -65.09 133.97 52.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.754 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.9 p -66.29 -20.9 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.9 m -85.44 -26.68 26.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.3 t -163.12 150.22 12.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -177.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' A' ' 90' ' ' ARG . . . -71.57 66.27 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.9 m -119.09 135.25 54.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 167.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.85 132.47 48.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -173.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 98.3 mttt -77.96 155.23 80.31 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.571 0.7 . . . . 0.0 110.793 170.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.85 -40.55 57.4 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 174.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.88 -33.1 74.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.73 -38.12 61.12 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.74 85.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 111.056 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.37 -43.03 98.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -62.74 -43.19 99.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 175.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.86 -33.35 75.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.7 m -64.75 -42.05 95.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.513 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -60.45 -41.61 98.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 173.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.0 t -62.03 -39.91 85.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.08 92.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.0 mmm -64.23 -24.9 67.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 55' ' ' GLY . 87.5 t -87.66 -46.3 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.176 -176.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.64 -35.48 80.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -57.06 -35.0 68.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -71.15 -25.26 62.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -122.79 83.95 49.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.679 0.752 . . . . 0.0 110.906 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.15 -10.03 27.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.408 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.73 5.19 49.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.6 p -119.98 156.19 31.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.38 158.24 26.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 68' ' ' VAL . 10.0 p -111.86 127.49 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -123.09 113.51 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.401 HG23 HG12 ' A' ' 136' ' ' ILE . 59.3 t -110.15 124.97 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -174.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.3 mt -123.42 125.82 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.99 139.47 14.55 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.516 174.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -151.84 150.46 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.962 -176.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 169.831 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -55.03 -47.26 74.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.44 -47.51 83.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 -175.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.89 -42.85 94.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.19 -46.49 86.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.422 ' HG3' ' HA ' ' A' ' 113' ' ' LEU . 51.6 ttm -54.96 -42.8 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 173.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.73 -44.17 91.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.59 -37.48 86.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 172.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 m -63.61 -39.9 95.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -64.99 -37.98 89.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.945 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.43 ' NE2' ' HB1' ' A' ' 43' ' ' ALA . 37.8 tt0 -63.85 -51.08 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.448 ' HB3' ' HB2' ' A' ' 43' ' ' ALA . 13.0 ptp180 -65.21 -31.16 72.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.516 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -61.58 -44.55 96.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.078 175.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.82 -35.62 81.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.6 m -64.22 -40.1 95.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.4 HG11 HG11 ' A' ' 70' ' ' VAL . 55.2 t -62.45 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 175.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.49 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.8 m -61.19 -46.03 92.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.7 89.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.061 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.96 -42.45 98.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.02 -41.3 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.0 m -63.14 -33.01 74.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -85.85 8.96 18.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.03 10.15 57.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 166.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.5 t -81.73 129.49 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.352 . . . . 0.0 111.186 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -54.37 123.35 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.02 -28.43 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.4 m -68.39 -25.02 64.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -91.89 -8.5 46.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.5 mt -95.13 129.27 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -177.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -127.64 130.01 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 166.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.516 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 80.3 p -128.03 140.72 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.226 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -139.95 150.0 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.06 134.99 8.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.422 ' HA ' ' HG3' ' A' ' 84' ' ' MET . 2.9 pp -142.86 158.06 43.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 178.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.98 -158.63 29.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.574 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.73 127.18 18.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.338 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.02 -65.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -132.29 115.89 15.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.22 154.99 37.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 83.7 mt -100.03 -50.06 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.43 168.25 14.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.6 t -66.67 133.59 50.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -174.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -75.45 -3.67 35.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.9 p -74.89 -9.54 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.05 0.452 . . . . 0.0 110.918 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.5 p -119.51 153.87 34.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.89 85.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.54 -43.13 86.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.82 -39.2 97.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -61.01 -44.22 97.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 0.0 110.953 177.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.32 98.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -68.09 -21.98 64.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 -175.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -82.14 -4.3 56.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -174.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -97.79 99.4 10.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -135.02 154.79 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -169.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.9 t -125.43 135.01 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 169.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -117.08 129.87 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -171.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.401 HG12 HG23 ' A' ' 70' ' ' VAL . 74.5 mt -114.77 120.48 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -111.79 119.22 37.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.8 tt -113.43 116.0 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.8 p -151.42 154.18 33.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 0.0 110.782 -169.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.99 133.55 52.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.282 177.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 46.3 tp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -178.35 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 t -97.87 126.36 43.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -106.26 121.98 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.2 m -119.94 134.76 55.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -103.32 128.15 50.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.7 t -137.31 102.07 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.97 -122.78 24.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.545 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -97.34 -10.0 26.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -98.99 168.03 10.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -172.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.4 mt -120.0 129.89 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.223 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.1 mt -117.12 120.21 64.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 57.5 mt -108.91 126.19 52.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -106.95 112.77 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.1 mtp -112.48 134.23 21.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.499 0.666 . . . . 0.0 110.897 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.83 145.24 31.88 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -51.8 -34.73 41.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.819 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.71 -25.35 68.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -165.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 m -109.25 -16.63 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -169.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.0 p -90.2 -59.64 2.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 -174.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -132.38 162.26 31.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -88.79 147.53 24.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.806 -174.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.6 p -64.0 -23.49 67.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.4 p -89.56 -28.04 19.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.794 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 t -160.52 141.59 12.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.21 66.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.3 m -113.44 127.66 56.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.125 168.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.26 133.13 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -169.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.24 156.27 63.16 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -51.32 -41.54 58.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.405 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.0 -36.2 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.28 -37.79 59.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.52 87.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.09 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.71 -43.71 95.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.804 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.0 m -65.93 -43.42 88.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.4 mt -66.67 -29.81 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.5 m -64.33 -40.75 96.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 170.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.519 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -60.62 -38.3 94.81 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.424 172.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.65 -42.53 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 111.095 172.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.28 89.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.3 mmm -61.9 -24.95 67.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 55' ' ' GLY . 96.4 t -89.15 -45.1 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.192 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.77 -35.77 82.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.84 -35.55 74.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -75.09 -32.22 61.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -122.02 80.33 42.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.73 0.776 . . . . 0.0 110.899 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.63 -4.78 15.3 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.392 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -91.02 7.82 38.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.2 p -120.54 150.68 40.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.94 156.09 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.132 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.46 130.42 68.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 109' ' ' ARG . 53.6 t-20 -119.89 119.97 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 172.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -111.55 123.58 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.069 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.479 HG12 ' HB2' ' A' ' 111' ' ' GLN . 71.9 mt -120.3 124.25 72.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.64 140.58 15.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.495 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -159.77 164.1 34.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.933 0.397 . . . . 0.0 110.916 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.054 173.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -54.57 -49.06 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.871 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.54 -46.91 80.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.97 -38.21 87.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -64.5 -45.61 86.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.7 ttm -53.89 -39.16 65.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.801 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.07 -46.41 81.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.96 -40.11 92.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 171.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.4 m -62.05 -37.54 85.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -61.56 -40.94 96.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.42 -46.74 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -67.32 -32.92 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.584 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -62.94 -43.13 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 173.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.94 -34.95 79.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 177.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -64.63 -38.34 90.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.34 -47.49 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.186 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.9 93.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.02 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m -60.87 -43.96 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.899 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -64.16 -46.75 82.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.64 -42.78 97.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.7 -41.29 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.5 m -64.08 -31.54 72.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 99.2 mm-40 -84.31 3.89 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -178.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.24 9.69 55.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 169.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.3 t -81.39 129.93 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 111.131 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -54.61 122.47 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.27 -32.27 68.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -70.64 -17.86 62.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -95.0 -7.39 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 80.6 mt -97.51 128.43 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 91.5 mmt-85 -128.62 131.03 48.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 167.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.584 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 81.2 p -126.88 141.88 51.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.479 ' HB2' HG12 ' A' ' 71' ' ' ILE . 49.2 mt-30 -137.41 144.96 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.25 131.65 9.86 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.414 172.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.0 mt -130.26 155.01 46.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.908 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.86 -165.28 13.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 166.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -49.96 128.32 21.68 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.78 -70.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -127.36 105.53 21.62 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.706 0.765 . . . . 0.0 110.889 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.45 165.8 24.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 177.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.4 mt -98.84 -49.93 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.621 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -131.98 169.24 16.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -175.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.448 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 35.0 t -64.98 137.72 57.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 -175.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -74.61 -3.45 31.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p -75.13 -8.01 55.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.7 p -119.64 153.78 35.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 174.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.12 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.66 -39.75 91.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.621 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -63.0 -41.68 99.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.48 -44.17 93.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.46 93.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -72.68 -30.52 64.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -172.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -72.41 -9.51 58.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -169.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -89.44 108.0 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 172.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -144.16 143.79 31.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -160.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 86.3 t -123.39 137.05 57.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 171.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -115.64 131.15 57.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.469 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 85.7 mt -114.86 120.68 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.0 m -113.92 119.72 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.8 tt -115.66 116.8 28.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.6 p -150.24 155.13 37.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 -170.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.4 136.52 56.04 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.645 2.23 . . . . 0.0 112.295 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 51.4 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.52 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.877 0.37 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 t -92.85 126.7 38.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.68 121.49 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.8 m -120.07 135.61 54.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -105.57 128.02 53.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 171.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -136.58 103.94 5.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.28 -122.71 24.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -171.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -96.59 -13.12 23.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 110.895 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -96.15 167.41 11.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -172.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.1 mt -124.02 131.79 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.04 122.24 69.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.3 mt -109.93 130.46 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -116.11 112.85 22.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 175.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 60.9 mtm -106.9 135.97 19.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.534 0.683 . . . . 0.0 110.849 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.67 141.93 38.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -55.94 -33.76 65.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -57.84 -26.43 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -164.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 m -115.61 -9.76 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -174.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -108.01 -56.68 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -175.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -133.44 -177.14 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -170.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -133.08 126.55 32.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 172.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.0 m -57.38 -26.7 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.8 m -73.58 -35.29 65.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -153.83 128.78 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 176.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 90' ' ' ARG . . . -74.21 69.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.6 m -111.85 125.14 53.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 169.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.88 132.39 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -85.54 155.4 59.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.538 0.685 . . . . 0.0 110.84 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.52 -41.3 68.81 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.687 2.258 . . . . 0.0 112.414 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.05 -33.69 74.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.16 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.54 -38.31 57.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.547 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.44 84.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.319 . . . . 0.0 111.055 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.54 -43.73 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.1 m -65.44 -41.66 93.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.36 -32.54 74.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -64.63 -40.29 95.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.57 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -60.53 -39.99 97.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.436 172.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.82 -41.31 92.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.693 0.282 . . . . 0.0 111.041 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.44 85.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.048 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.5 mtp -63.45 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.57 HG21 ' O ' ' A' ' 55' ' ' GLY . 90.0 t -88.43 -47.4 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.158 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.95 -39.3 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -63.48 -30.51 71.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -75.93 -27.07 57.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -120.0 81.06 27.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.698 0.761 . . . . 0.0 110.881 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.68 -9.16 25.22 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.716 2.277 . . . . 0.0 112.395 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.1 4.08 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 177.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.6 p -121.88 159.56 26.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.17 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.71 150.31 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.6 t -110.63 124.31 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 109' ' ' ARG . 55.7 t-20 -114.81 117.91 32.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 173.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.1 t -106.06 121.73 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.423 HG12 ' HB2' ' A' ' 111' ' ' GLN . 82.1 mt -118.96 120.79 65.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -176.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.3 135.16 12.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.481 172.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -149.67 163.14 38.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.045 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.126 166.791 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -55.01 -45.59 75.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.68 -48.81 79.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.39 -40.2 95.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.81 -43.1 94.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -177.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 68.1 mtm -53.99 -43.08 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 171.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.79 -46.77 74.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.964 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.42 -41.06 93.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 173.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.2 m -63.01 -39.94 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -65.68 -40.03 91.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.924 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.33 -47.83 77.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.594 ' HB3' ' HB2' ' A' ' 43' ' ' ALA . 18.2 ptp180 -65.31 -32.5 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.654 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -60.64 -42.9 97.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 176.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.28 -37.89 89.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.6 m -65.02 -39.98 94.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.14 -46.57 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.95 92.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -61.02 -44.17 97.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.2 87.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.098 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.67 -42.21 98.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.11 -40.66 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 176.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.4 m -63.11 -32.81 74.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 176.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -84.75 6.23 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.28 10.55 51.02 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 168.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.23 131.38 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 111.172 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.41 126.1 26.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 175.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -27.27 65.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.8 p -69.78 -21.61 63.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -92.53 -9.76 40.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.4 mt -94.68 128.14 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 91.2 mmt-85 -128.38 132.44 48.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 168.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.654 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 73.1 p -129.57 142.21 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.423 ' HB2' HG12 ' A' ' 71' ' ' ILE . 54.5 mt-30 -137.25 148.08 46.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -118.03 128.21 7.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 173.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 89.1 mt -133.2 156.8 46.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.12 -159.49 32.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 168.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -53.5 131.89 45.96 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.668 2.245 . . . . 0.0 112.291 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.94 -67.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -131.43 108.92 14.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.692 0.758 . . . . 0.0 110.927 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.07 153.01 67.94 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.61 2.207 . . . . 0.0 112.398 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.1 mt -96.62 -46.92 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.98 171.86 10.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.8 t -67.44 134.83 52.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -75.08 -6.01 47.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 175.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.5 p -75.72 -9.26 58.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.3 p -119.43 152.42 36.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 174.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.76 -37.41 86.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.059 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.06 -41.27 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.76 -40.89 97.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -62.55 -40.53 97.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.992 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.4 98.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.7 -26.91 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -80.66 -8.6 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -91.84 79.96 5.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 170.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -136.8 158.93 43.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.82 154.54 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -116.61 132.06 56.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.2 mt -117.03 122.06 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 169.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.0 m -112.02 124.22 51.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 48.6 tp -112.94 120.52 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.0 p -154.38 152.74 26.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 110.774 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.36 134.18 50.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.635 2.223 . . . . 0.0 112.337 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 -179.057 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.899 0.38 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -97.56 123.16 41.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.56 123.13 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 -174.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.2 m -119.99 136.88 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -104.74 134.55 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 171.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -140.34 99.42 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.785 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.94 -123.28 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.526 -173.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -97.8 10.51 39.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -102.39 154.06 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.3 mt -117.73 124.26 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.8 mt -115.76 120.68 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.6 mt -103.3 121.9 43.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -104.09 109.99 22.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.6 mtt -119.82 138.83 27.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.431 0.634 . . . . 0.0 110.972 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.49 136.8 24.37 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 176.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -68.47 -24.02 64.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -61.71 -23.82 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.763 -170.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.0 m -112.38 -5.76 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.8 m -102.23 -48.75 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -174.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -115.79 151.24 35.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.475 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 66.8 t0 -71.61 133.97 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.858 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.1 p -70.68 -22.54 62.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.3 p -92.19 -6.58 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.0 t -174.44 143.1 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.412 ' HB2' ' HG3' ' A' ' 90' ' ' ARG . . . -69.47 60.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.04 173.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.4 m -116.58 138.83 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 162.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.33 135.48 56.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 97.0 mttt -73.67 152.89 89.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.67 . . . . 0.0 110.861 173.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.79 -40.3 74.91 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.347 175.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.74 -27.45 69.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.66 -37.53 30.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.77 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.063 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.14 -40.44 96.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.1 m -60.11 -45.46 92.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.16 -28.96 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.964 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 100.0 m -65.01 -39.95 94.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 172.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.572 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -61.61 -39.08 96.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 170.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.52 -40.07 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 111.036 172.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.01 76.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.059 174.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.4 mmm -64.42 -19.44 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 55' ' ' GLY . 95.1 t -93.79 -54.3 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -173.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.7 tp -68.29 -33.91 75.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -67.29 -39.77 86.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -77.67 -27.5 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -120.76 77.12 29.05 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.724 0.773 . . . . 0.0 110.937 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.85 -7.06 20.39 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -87.24 8.45 24.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.3 p -123.83 160.09 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.468 ' HB3' HD22 ' A' ' 141' ' ' LEU . . . -114.42 142.99 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 176.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.48 121.3 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -117.26 115.27 24.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.35 121.38 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -177.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 85.1 mt -122.68 124.12 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.87 136.43 13.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.56 178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -155.97 158.95 38.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.966 0.412 . . . . 0.0 110.953 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.6 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.105 175.172 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -52.78 -47.11 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.18 -49.21 76.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.9 -41.41 95.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.48 -52.12 62.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.4 ttp -46.07 -44.86 15.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.19 -45.51 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.4 mt -60.45 -38.09 83.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.407 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 67.8 m -64.78 -39.33 93.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -56.96 -41.03 77.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 174.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -67.09 -43.58 82.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.412 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 87.9 mtm180 -63.54 -37.62 88.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.567 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -63.44 -43.81 96.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 176.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.4 -36.67 83.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.1 m -64.86 -39.75 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.91 -48.4 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.104 176.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.55 -42.28 98.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.8 m -59.06 -46.69 87.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.44 87.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.108 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.42 -44.72 95.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.929 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.41 -41.65 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.6 m -62.96 -33.27 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.138 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -87.1 19.05 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.98 4.76 66.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 165.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.4 t -81.25 131.68 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 111.081 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -58.4 121.42 10.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.79 -29.65 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.3 p -71.35 -18.84 62.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -174.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -95.52 -8.12 36.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.5 mt -93.14 135.37 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -127.74 130.62 49.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.775 166.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.567 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 82.1 p -130.95 144.53 51.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -146.84 142.82 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.11 130.84 9.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.524 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.4 mt -128.77 155.55 44.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.45 -160.93 28.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 167.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -49.24 128.39 19.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.99 -69.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -131.63 109.69 14.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.644 0.735 . . . . 0.0 110.93 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.94 158.74 42.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.0 mt -95.54 -45.5 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.417 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -135.6 168.83 18.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -64.44 133.77 53.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -174.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -72.19 -3.75 25.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.921 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.4 p -75.01 -8.27 56.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.7 p -121.39 153.21 38.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.36 87.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.52 -42.08 87.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.417 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -63.47 -41.5 99.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.478 178.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -60.67 -44.64 96.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.891 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.68 96.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -68.21 -29.38 68.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -71.21 -11.47 60.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -171.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -88.81 92.6 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -130.09 147.8 51.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -164.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.93 138.58 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -117.85 137.38 52.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -172.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 75.4 mt -114.79 121.3 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.9 m -110.59 123.9 50.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 -176.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.3 tp -110.98 121.56 45.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 176.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.5 t -143.57 130.76 10.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.85 -173.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.6 145.06 39.65 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.306 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 67' ' ' ALA . 79.2 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.459 -0.02 0 CA-C-O 120.893 0.378 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.9 t -99.34 120.38 39.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.0 t -102.22 121.36 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.8 m -121.05 139.52 53.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -117.42 135.38 53.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -144.09 116.18 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.03 -123.58 31.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -172.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -100.17 -4.52 29.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.812 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -104.65 168.3 9.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.8 mp -122.73 132.6 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.3 mt -118.93 120.25 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.407 ' HG ' ' HG3' ' A' ' 32' ' ' MET . 54.0 tp -108.68 124.64 50.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -105.04 110.05 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.407 ' HG3' ' HG ' ' A' ' 30' ' ' LEU . 96.3 mtp -107.38 113.62 61.73 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.512 0.672 . . . . 0.0 110.92 -176.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.69 131.9 35.34 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.83 -38.62 91.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -65.21 -29.57 70.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -166.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -108.47 -4.67 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 -170.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.2 p -114.84 -30.44 6.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.13 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -124.06 155.48 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.484 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 8.5 t70 -64.86 145.88 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.7 p -70.47 -25.88 63.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -175.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -91.71 -20.19 21.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.8 t -160.84 149.65 16.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.785 -175.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' A' ' 90' ' ' ARG . . . -70.03 66.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.195 172.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.4 m -114.85 131.85 56.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 168.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.4 tp -64.07 131.74 48.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.946 -173.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 96.2 mttt -80.28 155.03 74.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.498 0.666 . . . . 0.0 110.947 171.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -52.16 -40.74 68.32 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 175.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.51 77.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.7 -36.94 67.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.426 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.86 82.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.822 0.344 . . . . 0.0 111.078 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.45 -42.3 96.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.3 m -64.24 -43.27 95.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -63.04 -31.71 72.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 178.398 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -65.15 -40.12 93.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.069 171.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.4 -44.68 96.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 172.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.8 t -56.98 -41.88 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.34 92.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 175.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.5 mmm -66.56 -29.55 69.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.45 -51.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 -174.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD11 HG23 ' A' ' 103' ' ' VAL . 4.1 pp -64.61 -24.34 67.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 177.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.36 -34.41 72.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.37 -23.3 65.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.486 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 70.8 m-85 -112.5 96.96 38.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.75 0.786 . . . . 0.0 110.959 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.486 ' HD2' ' HA ' ' A' ' 63' ' ' TYR . 27.4 Cg_endo -62.57 -31.49 79.84 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.256 . . . . 0.0 112.405 -177.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -102.64 87.22 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.993 171.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 t -149.39 160.44 43.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 139' ' ' SER . . . -118.85 146.7 44.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 175.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.9 t -109.59 123.81 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -119.98 114.42 22.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -113.4 119.24 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.9 mt -126.98 130.25 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -129.96 148.85 18.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.574 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -163.63 164.32 24.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.389 . . . . 0.0 110.959 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.125 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -54.03 -50.24 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -175.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.78 -44.28 96.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.6 tp -64.47 -43.45 94.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -63.83 -47.27 81.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.9 ttp -61.99 -41.66 98.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.87 -44.3 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.63 -35.97 81.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.0 m -62.74 -43.13 99.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.42 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 72.8 tp60 -67.41 -37.19 82.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.857 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -66.35 -47.25 74.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.561 ' HB3' ' HB2' ' A' ' 43' ' ' ALA . 17.6 ptp180 -65.71 -35.43 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 177.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.482 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -64.69 -41.56 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 173.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -65.91 -33.87 76.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.0 m -64.07 -37.92 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.5 t -60.89 -45.39 98.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.094 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.454 ' HB3' HG22 ' A' ' 110' ' ' THR . . . -60.85 -42.98 98.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.07 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.5 m -58.44 -44.52 89.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.79 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.88 -47.54 82.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.5 pt -70.92 -25.72 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.191 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.1 m -67.16 -36.18 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 169.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -90.01 12.76 16.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.76 10.49 55.26 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 165.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.502 HG23 HD11 ' A' ' 60' ' ' LEU . 89.1 t -83.01 127.99 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -56.91 122.91 13.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.41 -29.49 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -70.6 -15.31 62.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -174.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -94.15 -7.6 41.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.8 mt -101.21 135.75 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 -174.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -127.66 130.93 49.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 170.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 26.3 p -123.25 131.76 53.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -175.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -134.33 121.44 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.42 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -94.03 136.84 13.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 167.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.85 152.51 50.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.815 0.34 . . . . 0.0 110.924 175.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.51 -163.96 13.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.565 162.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -49.27 124.49 11.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.31 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.03 -64.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -132.57 90.68 32.54 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.574 0.702 . . . . 0.0 110.931 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.72 143.39 47.43 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.8 mm -89.45 -45.38 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.51 166.97 23.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.5 t -66.01 136.19 55.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -171.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.11 -14.4 62.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.1 p -74.99 -10.8 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -169.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.5 p -121.92 151.68 40.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.04 83.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.072 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.83 -39.04 87.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.47 -38.15 95.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.31 -41.35 96.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 175.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.36 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.46 -25.86 64.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -63.98 -29.0 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.03 80.0 6.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.17 149.91 48.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.75 154.16 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -121.05 131.23 54.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 80.8 mt -117.07 121.42 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 172.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.6 m -112.87 126.85 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -175.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.3 mt -104.76 112.27 25.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.47 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 41.4 t -166.13 133.41 2.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.911 -175.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.03 135.98 46.29 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.936 -177.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.8 m -101.13 126.24 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.2 t -103.16 122.05 55.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.0 m -121.2 140.5 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -117.14 133.6 55.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -140.82 110.06 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.26 -124.98 28.75 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.538 -170.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -98.37 1.87 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 173.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -100.63 160.03 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.97 127.95 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.1 mt -116.81 120.12 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.5 tp -106.75 125.32 50.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.983 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -104.83 108.61 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.0 mtp -109.76 112.64 58.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.943 -175.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.2 132.73 35.08 Favored 'Trans proline' 0 N--CA 1.466 -0.116 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 172.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -66.3 -33.12 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -66.8 -24.98 66.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.5 t -107.05 -17.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.183 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.8 m -99.25 -42.32 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.119 -176.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -114.31 157.5 22.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -61.64 146.48 48.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.0 p -68.48 -26.43 65.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.2 p -91.74 -17.1 25.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -175.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 t -161.7 142.33 10.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.796 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.06 61.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.163 170.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.0 m -113.36 133.32 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 166.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 tp -58.75 131.28 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.792 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 10.2 mmpt? -87.77 156.75 52.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.886 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -51.8 -41.66 61.37 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.633 2.222 . . . . 0.0 112.336 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.22 -34.96 75.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.72 -37.52 57.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.33 90.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 111.163 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -65.73 -43.03 90.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.8 m -65.33 -44.17 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 176.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.04 -30.19 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.862 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.3 m -65.23 -38.48 90.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.164 170.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.61 -41.38 97.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.01 -41.11 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.349 . . . . 0.0 111.151 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.26 85.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.2 mmm -64.73 -21.9 66.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.15 -43.11 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.78 -28.89 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.64 -38.63 87.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.95 -32.36 63.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.941 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -120.26 78.24 26.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.764 . . . . 0.0 110.831 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.36 -23.69 75.31 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.764 2.309 . . . . 0.0 112.349 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.89 61.26 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.0 m -138.21 138.8 38.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 139' ' ' SER . . . -101.52 141.14 34.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 174.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.0 t -108.81 126.24 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.071 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -119.62 113.97 21.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.44 120.86 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -176.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.6 mt -124.29 123.13 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.067 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.31 141.47 16.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 172.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -149.94 150.24 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.955 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.187 173.326 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -56.75 -50.61 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.24 -41.78 93.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.6 -38.49 89.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -61.64 -41.1 97.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -72.01 -42.45 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.76 -45.43 78.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.56 -41.65 98.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 m -63.36 -38.97 93.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -62.67 -40.01 95.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.857 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.72 -40.14 84.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -61.55 -47.18 86.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.24 95.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.13 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -69.39 -32.08 70.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.9 m -64.36 -39.15 93.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 175.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.36 -45.73 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.048 172.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.44 ' HB3' HG22 ' A' ' 110' ' ' THR . . . -61.82 -42.82 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.4 m -58.23 -43.95 87.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.22 96.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.093 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.14 -47.33 83.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.8 pt -71.47 -26.01 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.2 m -67.28 -36.84 82.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -90.13 13.19 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -177.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.23 10.24 49.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 163.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.9 t -83.76 126.02 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.165 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -55.78 124.99 19.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.65 -29.53 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.8 p -70.9 -14.05 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -91.8 -5.24 53.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.0 mt -110.22 138.02 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 -172.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -127.91 134.11 49.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.979 170.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.44 HG22 ' HB3' ' A' ' 95' ' ' ALA . 80.7 p -125.29 147.02 49.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 -175.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -147.3 129.96 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 172.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -92.81 132.51 11.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.424 166.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.76 150.66 50.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.93 -154.28 10.56 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 162.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.86 123.31 12.1 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.03 -65.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -129.69 101.88 18.36 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.57 0.7 . . . . 0.0 110.972 171.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -55.42 141.33 82.31 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.66 -49.15 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.83 165.62 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.438 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 40.8 t -66.59 135.03 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -169.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.01 -15.73 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 174.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.2 p -75.75 -9.65 58.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.9 p -122.41 152.38 40.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.69 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.83 -38.61 86.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.77 -38.21 95.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.556 176.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 131' ' ' ASN . 97.6 mttt -61.85 -40.61 95.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.743 0.306 . . . . 0.0 110.901 175.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.33 94.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.75 -26.62 64.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 128' ' ' LYS . 18.8 t-20 -61.98 -30.43 70.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 177.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -88.91 83.15 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -134.63 142.06 46.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -172.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 80.7 t -122.14 136.15 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 170.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -116.57 134.89 54.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -173.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.1 mt -116.68 122.37 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.084 176.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -110.18 124.81 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.9 mp -103.68 113.66 27.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.632 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 44.3 t -161.21 124.43 1.87 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.726 . . . . 0.0 110.959 -177.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 65.4 Cg_exo -54.68 134.49 62.73 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.266 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.592 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.3 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.889 0.376 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -64.27 -31.28 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.5 mmm -70.66 -33.17 70.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.825 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -70.26 -31.97 69.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 65.4 t -71.62 -47.37 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -66.0 -40.38 91.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.93 -42.24 98.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.16 94.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.02 -42.14 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 175.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.94 -35.57 81.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.1 -44.57 94.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.03 -42.02 94.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.22 -28.32 69.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 79.2 mtm -102.84 0.61 32.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -84.5 88.62 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.47 -178.04 42.55 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.5 p -89.28 -15.71 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 111.115 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.18 -12.94 44.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.426 -170.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.6 t -98.75 133.28 41.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.359 . . . . 0.0 111.134 174.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.0 t -98.18 120.83 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.425 HG23 ' HG ' ' A' ' 30' ' ' LEU . 64.9 t -106.55 115.91 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.6 p -125.07 153.87 42.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -173.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -116.7 136.12 53.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -134.94 105.64 6.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.78 -121.86 12.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -170.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -105.49 5.65 31.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.825 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -110.76 166.0 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 82.3 mt -123.9 132.15 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.9 mt -118.68 124.22 72.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 9.5 mp -105.52 128.07 53.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -111.96 113.1 25.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.1 ptm -132.06 139.03 33.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.524 0.678 . . . . 0.0 110.877 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.28 140.02 17.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.312 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -74.86 -39.21 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -63.77 -28.25 69.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -170.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.98 -23.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 -19.51 12.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -167.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.77 158.56 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.436 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 39.0 t0 -61.73 152.05 32.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.4 p -75.14 -24.81 58.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.2 p -92.97 -25.64 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -173.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -155.17 157.65 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.04 64.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 171.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.4 m -110.4 125.22 53.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 170.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -66.42 134.54 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -172.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 98.1 mttt -91.15 160.12 38.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 170.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.27 -40.77 69.22 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.62 2.214 . . . . 0.0 112.343 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.99 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.25 -36.42 70.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.95 82.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.22 -43.42 91.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.6 m -64.21 -44.78 90.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.01 -32.47 74.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.6 m -65.39 -39.75 92.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 173.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.98 96.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.99 -41.65 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 111.119 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.542 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -59.81 -38.31 81.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 178.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.18 -24.53 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.79 -48.13 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 -173.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 HD21 HG11 ' A' ' 103' ' ' VAL . 36.9 tp -67.19 -35.03 78.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.06 -37.53 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -81.53 -20.63 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -113.83 82.34 6.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.81 -16.08 37.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.7 5.1 44.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -122.83 155.17 37.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.198 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.2 149.16 46.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.2 t -109.29 126.62 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -116.19 118.74 33.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.03 123.45 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.4 mt -127.44 125.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.479 ' HA3' HG12 ' A' ' 134' ' ' VAL . . . -124.05 157.82 18.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -149.99 146.2 26.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 0.0 110.897 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.6 p -142.93 147.73 35.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 169.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -114.33 -49.96 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.7 p -83.51 23.45 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -175.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.4 p -92.68 -54.06 3.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.068 169.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.26 -157.51 10.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 170.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.69 162.2 48.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.12 -50.96 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -169.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.22 -43.3 96.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.1 tp -64.52 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -65.59 -38.65 90.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -59.2 -40.16 84.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.27 -44.33 79.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.49 -42.35 98.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.3 m -64.67 -40.31 95.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.467 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 67.1 tp60 -67.07 -36.0 81.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -65.04 -39.47 93.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -61.78 -40.09 93.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 172.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.573 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -62.23 -43.56 98.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -64.47 -37.48 87.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m -64.33 -39.89 94.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.31 -47.78 90.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.143 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.07 99.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -61.08 -44.67 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.21 -46.39 89.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 57' ' ' ALA . 95.7 mt -62.2 -44.96 95.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.7 -39.25 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.0 m -61.49 -33.0 73.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -86.05 7.93 22.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.5 9.7 56.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.464 HG11 HD21 ' A' ' 60' ' ' LEU . 85.0 t -80.62 129.25 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.152 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -58.52 126.56 28.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.55 -24.54 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.0 m -63.28 -24.37 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -100.64 -0.21 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -173.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.2 mt -101.97 124.62 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.413 ' HB2' ' HB2' ' A' ' 145' ' ' HIS . 76.9 ttt180 -126.07 121.88 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 175.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.573 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 66.0 p -131.35 146.79 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -141.87 135.75 29.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.467 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -95.11 115.0 5.0 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 174.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.6 tp -123.05 144.82 49.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 -177.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.54 -165.99 29.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.03 135.18 42.77 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -144.96 -45.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -144.81 73.22 15.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.534 0.683 . . . . 0.0 110.833 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.55 129.57 34.48 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.401 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 89.3 mt -55.95 -42.46 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.04 170.52 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.4 t -72.84 136.96 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -74.86 -2.01 24.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.7 p -76.75 -9.58 58.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.8 p -120.65 152.72 37.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.108 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.32 90.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.05 -40.74 87.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.846 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.55 96.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.479 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.96 -42.09 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.04 86.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.17 -33.22 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -77.99 -30.39 50.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -175.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.46 63.33 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -141.67 158.47 43.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.479 HG12 ' HA3' ' A' ' 72' ' ' GLY . 24.7 m -125.19 156.33 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -116.8 130.19 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.485 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 89.3 mt -113.23 120.83 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.6 m -107.92 121.71 45.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 47.0 tp -114.9 120.81 41.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.7 p -149.88 149.03 26.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.685 0.755 . . . . 0.0 110.88 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.98 127.44 26.35 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.625 2.217 . . . . 0.0 112.3 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 50.6 tp -171.06 129.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -176.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 92.9 mt -103.42 -5.58 22.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -70.26 133.06 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 -59.98 139.91 57.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 109' ' ' ARG . 13.2 p80 -60.01 168.73 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.859 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -117.05 167.39 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -100.51 139.64 35.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -171.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -136.59 144.56 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -176.518 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.5 p90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.903 0.383 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -64.79 -30.38 71.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.5 mmm -70.29 -33.72 71.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -70.88 -31.82 68.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.26 -47.37 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.041 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.6 -39.9 92.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.38 -44.82 95.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.76 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.63 -42.86 95.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.09 -37.33 87.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.39 -40.47 95.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.59 -39.89 94.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -67.75 -27.5 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 78.7 mtm -101.46 0.07 36.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -84.01 88.97 7.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.38 -176.6 44.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.3 p -95.46 -11.98 26.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 111.184 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.13 -12.5 34.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.6 t -97.0 131.61 43.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.064 176.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -94.37 122.86 37.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.428 HG23 ' HG ' ' A' ' 30' ' ' LEU . 62.2 t -106.75 117.16 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -123.7 150.74 43.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.74 137.8 51.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -142.25 109.76 5.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.67 -124.04 30.21 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -105.01 18.53 22.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.942 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -125.63 165.57 18.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.2 mt -126.73 133.2 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.9 mt -119.57 124.79 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.428 ' HG ' HG23 ' A' ' 21' ' ' VAL . 10.6 mp -103.24 126.52 50.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.942 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -110.4 112.37 24.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 27.6 ptm -131.56 139.46 35.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.508 0.67 . . . . 0.0 110.918 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.423 ' HA ' ' HG2' ' A' ' 133' ' ' ARG . 44.0 Cg_endo -72.27 134.14 22.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.736 2.291 . . . . 0.0 112.394 -174.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -72.85 -40.01 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -64.17 -32.44 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -173.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -82.02 -28.61 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.2 p -109.05 -15.67 14.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -166.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -114.88 159.84 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 8.1 t70 -66.65 145.1 55.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.7 p -71.26 -25.97 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -90.72 -23.03 20.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -157.5 155.92 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.467 ' HB2' ' HG3' ' A' ' 90' ' ' ARG . . . -68.92 65.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 170.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.3 m -114.28 128.63 56.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.11 134.93 52.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -176.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 98.3 mttt -87.37 157.76 52.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.71 . . . . 0.0 110.908 171.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.3 -40.09 78.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.272 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.41 81.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.42 67.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.532 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.08 -34.99 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.65 0.262 . . . . 0.0 111.048 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.74 -43.59 92.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.4 m -64.45 -43.57 93.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 94' ' ' VAL . 89.2 mt -64.84 -32.63 74.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.1 m -64.76 -39.14 93.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 172.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.77 -42.0 96.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.4 -41.16 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 111.17 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.39 89.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.0 mmm -64.25 -26.36 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.0 t -88.93 -46.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.446 HD21 HG11 ' A' ' 103' ' ' VAL . 31.6 tp -64.71 -35.18 80.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.984 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.45 -36.65 84.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -68.27 -31.51 71.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -118.38 82.45 18.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.95 -9.12 25.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.07 11.08 19.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.7 p -125.17 155.11 40.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.31 155.76 36.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 p -109.75 129.57 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -118.64 124.1 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.48 125.33 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -174.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.4 mt -123.03 120.48 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -120.97 150.29 17.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.524 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -151.08 156.64 41.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 110.951 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -157.6 151.41 24.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.085 173.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -116.82 -53.2 2.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.2 p -83.87 55.75 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -174.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.4 m -124.88 -49.96 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.614 ' HA3' HD21 ' A' ' 82' ' ' LEU . . . -164.33 -153.12 7.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.438 169.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.2 163.81 25.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -55.54 -50.75 69.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -173.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.33 -41.28 93.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.614 HD21 ' HA3' ' A' ' 78' ' ' GLY . 62.1 tp -64.97 -39.53 93.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 177.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.38 -45.3 91.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 68.3 ttp -65.34 -42.71 92.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.93 -43.24 79.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.0 -40.34 94.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -63.92 -39.29 93.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -67.74 -36.1 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -65.41 -41.59 93.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.467 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 99.9 mtt180 -65.04 -38.09 89.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 176.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.738 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -62.55 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 174.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.75 -36.66 84.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.0 m -64.82 -39.0 92.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.428 HG13 HD23 ' A' ' 53' ' ' LEU . 52.2 t -62.99 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 175.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.11 99.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.4 m -60.19 -44.12 95.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.88 91.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.078 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.77 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.2 -40.69 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.2 m -62.5 -33.61 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -87.79 11.16 16.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.42 9.54 55.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 164.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.446 HG11 HD21 ' A' ' 60' ' ' LEU . 97.9 t -82.11 129.63 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 111.154 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.16 129.37 41.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.37 -24.49 67.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.5 m -65.67 -21.83 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -94.37 -10.06 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.3 mt -101.37 125.8 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -174.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.405 ' HB2' ' HB2' ' A' ' 145' ' ' HIS . 57.4 ttp180 -129.73 126.64 38.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 167.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.738 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 68.6 p -127.06 143.03 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -138.08 134.58 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.829 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -117.16 132.5 10.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 170.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.4 tp -139.93 140.68 36.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.346 . . . . 0.0 110.903 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -69.8 -163.62 4.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.495 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.05 118.71 5.63 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.27 . . . . 0.0 112.302 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -136.43 -65.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -140.7 80.74 17.76 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.532 0.682 . . . . 0.0 110.798 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -67.0 139.84 52.55 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 -174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.27 -42.64 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -125.29 169.02 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.485 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 39.3 t -72.73 136.65 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -74.98 -9.46 58.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 77.7 p -75.65 -10.04 59.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -172.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.5 p -120.54 152.52 37.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.2 86.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.023 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.29 -40.04 93.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.17 -39.28 96.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.8 -44.71 93.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 110.865 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.97 99.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -69.51 -26.56 64.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -79.14 -20.94 47.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -87.06 62.59 7.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' A' ' 33' ' ' PRO . 69.0 mtm180 -136.74 157.03 47.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -175.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.7 p -127.3 143.3 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 176.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -113.45 129.93 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 88.4 mt -117.11 117.62 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.3 m -113.03 122.26 47.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -173.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.93 123.29 48.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.412 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 91.1 p -144.68 149.12 42.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.83 -175.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 78.2 Cg_exo -54.33 127.88 27.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.6 2.2 . . . . 0.0 112.31 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 43.7 tp -169.53 129.97 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 93.2 mt -106.45 -10.35 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -79.11 137.08 37.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -59.0 137.11 58.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 174.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 109' ' ' ARG . 12.9 p80 -61.49 169.64 2.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -120.26 172.53 7.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -110.09 148.89 30.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -128.7 144.4 51.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -176.243 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.88 0.372 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -65.08 -24.91 67.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.2 mmm -69.38 -35.04 75.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.26 -30.24 67.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.9 t -74.89 -46.92 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.142 -178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.31 -39.2 92.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 174.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.16 -41.73 97.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -43.75 93.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.6 -40.45 96.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 175.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.4 mt -65.01 -35.96 82.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.55 -41.83 95.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.35 -40.0 93.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.93 175.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -67.32 -26.08 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 78.1 mtm -101.7 2.26 38.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -125.61 96.92 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.1 149.22 25.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.1 p -90.77 -1.94 57.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.0 111.219 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.96 -8.62 54.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -174.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.0 t -89.67 135.6 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.363 . . . . 0.0 111.182 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.7 t -95.35 126.27 40.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.4 t -107.68 119.97 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.163 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -122.69 135.88 54.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.48 136.6 48.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -142.82 109.27 5.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.28 -127.01 34.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.498 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.5 p-10 -97.94 5.26 49.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.808 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -116.09 170.46 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.3 tt -141.32 134.97 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -121.26 128.31 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.75 128.24 54.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -101.72 110.13 22.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.7 mtt -110.07 119.05 48.29 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.871 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HG2' HG23 ' A' ' 36' ' ' VAL . 90.4 Cg_endo -72.7 128.62 13.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 171.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -59.65 -26.96 65.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.49 -26.48 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -167.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.42 HG23 ' HG2' ' A' ' 33' ' ' PRO . 27.8 m -114.7 -15.12 10.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.4 m -95.51 -53.04 3.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -114.47 172.76 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.98 145.79 51.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 168.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -65.18 -23.98 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.2 p -108.2 -31.16 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.1 m -129.13 152.63 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -169.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.64 57.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.1 m -111.56 126.85 55.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.14 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 50' ' ' ALA . 28.1 tp -69.55 132.87 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.964 -170.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -86.19 157.89 55.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 169.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.59 -44.32 48.31 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.727 2.285 . . . . 0.0 112.376 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.34 83.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.57 -35.19 80.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.443 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.421 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -64.41 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.166 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.41 -48.23 80.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.3 m -66.83 -46.1 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.52 -32.49 74.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.9 m -65.18 -41.74 94.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.39 -40.18 98.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 174.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.49 -43.33 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 111.171 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.52 75.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 82.8 mtp -62.15 -18.48 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -99.37 -42.56 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.441 HD22 HD23 ' A' ' 138' ' ' LEU . 93.2 mt -66.67 -37.37 84.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.02 -45.53 94.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -82.61 -22.4 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -173.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -106.33 95.12 10.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.676 0.75 . . . . 0.0 110.882 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -76.48 179.62 6.23 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 55.02 35.24 24.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.6 m -127.45 134.87 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -174.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 139' ' ' SER . . . -103.18 138.27 40.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 60.2 t -109.23 126.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 176.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -118.55 114.95 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -108.27 118.64 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 92.0 mt -130.19 125.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 134' ' ' VAL . . . -111.42 150.99 17.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.543 172.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.426 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 29.6 p90 -139.45 141.0 37.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 0.0 110.889 -179.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.8 t -170.71 145.88 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.059 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -107.21 -53.7 2.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -167.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.7 p -76.38 -7.8 55.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -167.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 48.1 p -88.41 43.88 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.119 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.639 ' HA3' HD21 ' A' ' 82' ' ' LEU . . . 111.08 175.25 20.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 173.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.02 175.02 32.43 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -54.1 -46.8 72.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 -173.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.13 -45.46 94.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.639 HD21 ' HA3' ' A' ' 78' ' ' GLY . 55.6 tp -67.33 -37.22 82.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -63.99 -41.2 97.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -60.07 -39.12 84.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 173.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.61 -45.88 74.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.68 -41.6 99.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -62.33 -40.48 96.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HB2' ' HA3' ' A' ' 112' ' ' GLY . 73.2 tp60 -61.66 -44.58 96.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.79 -46.8 70.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.965 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -68.09 -37.94 81.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.91 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 175.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.66 -32.54 73.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.856 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.6 m -66.86 -36.25 81.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.23 -47.26 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.06 97.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.2 m -60.36 -42.56 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.51 80.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.46 -42.64 99.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.958 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 91.0 mt -67.02 -39.9 84.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.6 m -60.01 -33.72 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -89.97 13.54 14.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.51 9.97 32.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 160.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 86.8 t -84.66 129.84 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 111.176 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -60.52 132.33 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.62 -28.76 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 79.0 p -69.16 -15.1 63.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -87.56 -13.99 41.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.913 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.439 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 83.6 mt -114.95 134.81 56.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 -173.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -133.77 129.19 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 170.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.8 p -122.97 149.46 44.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -173.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -139.87 142.54 36.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 172.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.464 ' HA3' ' HB2' ' A' ' 88' ' ' GLN . . . -92.2 114.93 4.68 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.553 172.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 82.3 mt -128.6 154.62 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.57 -165.03 27.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.48 173.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.426 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 75.0 Cg_exo -50.53 133.3 37.58 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.94 -65.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -129.72 79.61 73.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.692 0.758 . . . . 0.0 110.89 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.32 156.86 60.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 97.4 mt -88.22 -48.2 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.553 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -135.37 163.93 28.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 -178.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.746 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.7 t -65.29 140.06 58.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -175.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -75.82 -2.46 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 83.8 p -78.0 -8.57 58.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.8 p -118.7 156.43 29.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.195 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.74 95.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.37 -38.93 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.746 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -65.11 -39.23 96.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.526 176.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.03 -41.1 97.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.894 0.378 . . . . 0.0 110.927 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.51 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -71.45 -20.37 62.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.9 -35.47 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -90.17 89.91 7.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -140.09 149.81 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -175.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.409 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 99.0 t -124.12 130.47 73.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 172.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -118.9 133.11 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 5.1 mp -111.84 124.77 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 90.7 m -108.97 123.74 49.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.441 HD23 HD22 ' A' ' 60' ' ' LEU . 36.5 mt -108.49 117.0 33.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -178.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.498 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 43.4 t -162.12 128.48 2.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.647 0.737 . . . . 0.0 110.951 -174.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.4 128.81 17.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.99 -12.95 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 50.1 mt 56.6 38.93 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -164.17 164.96 22.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -150.7 145.51 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -118.54 -49.53 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -172.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -172.03 161.56 5.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -149.03 138.89 21.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -155.01 164.99 38.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 175.309 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.87 0.367 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -60.94 -43.3 98.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.2 mmm -72.46 -30.39 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.803 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.9 -34.19 77.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.7 t -76.98 -45.73 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -65.2 -40.78 94.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.44 -45.88 92.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.34 93.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.73 -42.41 99.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.4 -40.85 93.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.7 -38.26 89.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.72 -40.86 96.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.85 -21.24 65.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.7 mtt -94.12 7.53 44.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -126.56 100.05 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 170.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.38 149.98 26.31 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.449 174.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.5 p -97.45 1.2 48.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 111.207 176.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.04 -6.09 34.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.3 t -93.98 134.13 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.913 0.387 . . . . 0.0 111.042 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.2 t -97.08 125.81 41.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -105.78 120.54 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.2 m -124.21 138.88 54.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -108.3 132.67 53.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 t -140.03 108.41 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.53 -124.95 30.39 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.46 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -93.95 -12.62 28.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -99.09 164.55 12.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.793 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.7 mt -128.75 131.17 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.114 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.68 123.48 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mp -107.43 127.34 53.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.91 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -101.4 110.49 22.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.9 mtt -111.22 124.38 32.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 -174.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -73.37 133.59 19.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 170.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -56.04 -31.45 63.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -58.22 -25.13 61.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -166.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -112.63 -14.98 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 -176.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.746 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 89.7 m -101.8 -54.17 2.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -123.08 -179.62 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -79.48 169.56 17.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 99.1 p -70.16 -27.62 64.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.4 p -125.86 -10.97 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.8 t -134.12 142.41 47.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 -170.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.553 ' HB1' ' HG3' ' A' ' 89' ' ' GLN . . . -79.15 60.76 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.088 171.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.4 m -105.5 118.59 36.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.2 174.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -64.73 132.38 49.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -169.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -95.0 160.21 31.44 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.593 0.711 . . . . 0.0 110.842 171.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -53.15 -48.74 20.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.328 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.746 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -69.26 -33.64 73.76 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 176.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.84 85.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -65.09 -44.22 89.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.4 p -71.75 -37.21 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -64.83 -33.78 76.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 174.379 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.1 m -65.42 -39.26 91.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 172.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.93 -42.07 98.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.04 -42.34 96.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 111.143 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.02 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.1 mtp -62.52 -21.99 65.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.3 t -93.28 -47.0 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.22 -40.13 86.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -67.19 -47.52 70.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -80.19 -25.2 39.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -172.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.04 87.41 28.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.671 0.748 . . . . 0.0 110.954 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.457 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 69.2 Cg_endo -70.16 177.15 6.15 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 94.6 mttt 70.18 19.07 6.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -177.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.1 p -123.87 148.35 46.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.66 139.13 50.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.97 132.17 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -113.12 122.9 48.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.12 116.85 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.0 mt -132.05 127.8 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.655 ' HA3' HG23 ' A' ' 134' ' ' VAL . . . -138.42 155.67 23.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -143.01 157.83 44.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.399 . . . . 0.0 110.902 -171.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.6 t -170.42 151.45 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.065 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -104.97 -62.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -169.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.6 p -81.46 -3.7 53.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -162.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.4 p -90.13 40.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.413 ' HA3' HD21 ' A' ' 82' ' ' LEU . . . 125.19 -160.78 19.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 175.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.84 -172.4 39.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.399 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -58.59 -55.06 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.71 -43.51 88.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.413 HD21 ' HA3' ' A' ' 78' ' ' GLY . 58.3 tp -66.28 -39.98 89.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -175.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -62.92 -43.65 98.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.4 mtp -64.39 -35.73 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.12 -42.14 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.9 -39.43 93.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -63.07 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -63.49 -43.05 98.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.553 ' HG3' ' HB1' ' A' ' 43' ' ' ALA . 62.6 tp60 -69.67 -43.14 73.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -64.32 -41.29 96.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.589 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -64.41 -42.1 96.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 175.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -69.77 -31.9 70.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.3 m -64.55 -36.32 83.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.95 -45.17 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.125 171.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.57 99.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.055 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -58.8 -42.36 88.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.97 -44.35 93.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.34 -41.96 99.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.58 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.5 m -61.98 -33.23 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.04 -0.5 51.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.17 10.55 36.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.7 t -83.13 128.05 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 111.158 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -64.4 133.38 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.13 -24.42 64.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.1 p -69.57 -17.95 63.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -92.02 -6.77 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.7 mt -112.95 133.69 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -175.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -132.97 131.78 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 168.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.589 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 73.3 p -127.71 145.16 50.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -139.86 131.56 27.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.07 87.83 1.57 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.8 mt -109.95 153.48 24.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -69.85 -178.91 23.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -55.11 133.84 60.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.24 -51.25 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -132.74 82.51 55.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.843 170.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -52.0 118.84 4.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.245 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.9 mt -55.59 -52.11 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -141.67 162.27 35.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 -176.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.737 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.4 t -67.45 138.38 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -78.83 0.91 25.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.4 p -76.65 -6.8 53.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.4 p -119.01 156.26 29.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 173.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.42 96.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.121 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -65.82 -40.99 92.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.737 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.99 -40.42 99.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.48 -41.02 84.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 177.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.9 -47.27 78.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -64.39 -27.25 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -176.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -77.35 -20.99 54.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -90.13 72.24 7.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -139.04 149.58 44.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -171.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.655 HG23 ' HA3' ' A' ' 72' ' ' GLY . 93.8 t -125.59 133.09 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 174.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -116.4 135.0 54.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -175.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 85.6 mt -115.68 122.74 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.5 m -114.53 123.5 49.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -173.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.68 128.2 53.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.5 t -148.78 119.86 4.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -174.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.52 131.13 40.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.371 171.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 98.3 mt -122.82 -22.55 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.449 ' HA ' ' HB3' ' A' ' 65' ' ' LYS . 50.7 mt 60.04 29.65 19.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -169.96 164.64 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -118.04 155.71 29.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -127.2 -55.24 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -177.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -174.85 151.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -149.92 179.72 7.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.785 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -152.29 165.05 36.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 177.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -178.287 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.6 -43.31 97.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.7 mmm -72.75 -29.72 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -67.2 -33.78 76.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.906 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.3 t -77.57 -45.38 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.84 -40.96 96.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.56 -41.96 99.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.895 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.96 95.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.03 -40.64 96.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.912 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.96 -37.45 87.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.83 -41.87 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.35 -40.38 93.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 174.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.01 -22.07 65.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.0 mtt -94.42 6.7 47.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -175.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -126.23 99.97 6.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.878 169.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.32 144.58 14.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.8 p -93.61 -9.38 38.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 111.212 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.88 -10.34 29.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.532 -175.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.5 t -90.21 131.34 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 176.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t -95.34 125.45 39.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.9 t -112.6 121.63 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.9 m -123.01 136.31 54.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -108.79 138.47 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -147.12 116.33 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.52 -126.34 41.87 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.524 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -99.5 10.8 40.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -122.09 171.7 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 tt -141.46 135.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.5 mt -119.95 126.97 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -104.94 124.2 49.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -104.13 116.05 31.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.405 ' SD ' HG22 ' A' ' 52' ' ' THR . 74.9 mtm -122.68 132.81 24.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.691 . . . . 0.0 110.892 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.8 143.98 63.43 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.709 2.272 . . . . 0.0 112.394 173.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -51.42 -35.81 40.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.42 -25.59 67.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -166.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.32 -20.63 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 -170.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.2 m -103.08 -47.02 4.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -115.33 176.33 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' HB3' ' H ' ' A' ' 42' ' ' SER . 25.6 t0 -78.42 161.36 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.809 175.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.4 p -67.85 -25.63 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -176.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.0 p -128.29 -13.64 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 -175.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.446 ' H ' ' HB3' ' A' ' 39' ' ' ASP . 30.1 t -127.31 143.06 51.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -173.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.9 59.61 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 168.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.5 m -114.58 126.47 54.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 173.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.49 136.35 54.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -89.79 160.0 42.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 171.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -50.45 -44.0 41.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.751 2.3 . . . . 0.0 112.257 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.05 79.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.074 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.95 -37.96 60.3 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.421 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.25 83.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.55 -44.52 93.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.405 HG22 ' SD ' ' A' ' 32' ' ' MET . 98.1 m -66.32 -40.18 89.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -62.84 -32.04 73.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 178.65 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.6 m -65.0 -40.22 94.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 172.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.97 -39.7 97.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.539 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.22 -42.28 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.18 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.51 -20.82 65.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.4 t -92.93 -48.61 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.6 -43.67 84.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.95 -47.26 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -80.61 -23.88 39.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -120.18 81.67 29.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.688 0.756 . . . . 0.0 110.879 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.469 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 41.3 Cg_endo -68.22 171.1 13.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.293 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.533 ' HB3' ' HA ' ' A' ' 142' ' ' LEU . 95.8 mttt 67.57 22.58 9.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -169.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 140' ' ' PRO . 90.5 m -120.7 134.3 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.13 137.53 42.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 -175.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -108.45 128.56 63.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -118.32 125.34 49.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -108.7 116.63 52.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.5 mt -130.29 128.63 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.525 ' HA3' HG23 ' A' ' 134' ' ' VAL . . . -142.74 157.94 26.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -141.35 146.64 36.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 0.0 110.88 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -154.17 145.85 23.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.063 172.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -107.62 -46.76 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -173.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 81.5 p -68.32 -13.72 62.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -172.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.5 p -92.21 41.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -176.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.28 -167.68 13.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.473 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.53 177.46 51.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -54.95 -49.45 71.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 -173.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.85 -46.5 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -65.75 -43.21 89.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.877 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.1 ttm -57.63 -38.44 75.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.17 -43.35 82.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -60.84 -45.17 95.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.6 m -64.53 -35.95 82.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.92 -42.52 98.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 174.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -69.24 -41.32 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -61.57 -45.4 94.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.493 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -64.05 -42.79 96.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -69.99 -32.63 70.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.6 m -61.66 -41.54 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.42 -43.41 98.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.96 94.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -59.54 -42.44 92.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.21 92.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.81 -42.05 96.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.66 -41.11 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.04 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.5 m -63.31 -33.28 75.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -85.0 3.75 37.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.84 10.52 37.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 167.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -84.67 129.68 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.196 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -63.9 132.58 51.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.91 -23.54 65.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.5 p -72.06 -13.34 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -95.6 -5.23 43.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.2 mt -109.73 134.15 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 80.2 ttt-85 -134.99 122.12 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.957 171.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.493 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 73.7 p -122.09 148.08 45.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 -176.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.04 132.18 14.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.3 134.46 12.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.525 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 89.6 mt -130.95 146.9 52.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.954 0.407 . . . . 0.0 110.831 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.13 -166.27 28.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.473 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -58.98 135.83 69.3 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.97 -64.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -136.33 82.32 35.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.89 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -54.73 127.44 26.16 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.282 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.1 mt -55.15 -41.67 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.21 169.24 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.033 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.9 t -70.48 135.65 48.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -77.1 0.65 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.886 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.8 p -78.52 -7.31 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.9 p -119.07 153.74 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.2 94.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.107 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.39 -40.92 81.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.35 -39.86 98.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.89 -42.02 92.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.927 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.28 93.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -68.1 -28.36 67.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -75.03 -19.13 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.8 71.24 9.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -136.98 146.51 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.525 HG23 ' HA3' ' A' ' 72' ' ' GLY . 89.5 t -129.56 139.18 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 175.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -117.09 139.48 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -173.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.7 mt -114.56 126.56 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.9 m -109.72 124.78 51.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 81.8 mt -112.5 118.91 36.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.975 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.3 t -145.5 124.05 6.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.707 0.765 . . . . 0.0 110.89 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 72.6 Cg_endo -70.42 134.14 25.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.32 173.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt -120.91 -33.62 3.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 -176.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.533 ' HA ' ' HB3' ' A' ' 65' ' ' LYS . 40.0 mt 62.97 25.92 15.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.999 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -168.84 160.31 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -133.72 160.58 37.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.802 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -133.54 -46.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -164.69 144.05 7.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -144.33 176.45 9.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.821 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -154.79 169.45 23.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -176.707 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.874 0.369 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -67.46 -31.87 72.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.3 mmm -70.56 -32.82 70.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -69.27 -34.54 74.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 66.4 t -69.25 -45.05 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.75 -38.2 86.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.36 -42.1 98.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.41 -43.78 92.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.66 -41.29 98.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.934 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -64.68 -36.62 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -60.39 -41.37 93.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -66.12 -40.25 90.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.16 -22.54 64.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.2 mtt -94.02 7.81 43.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -176.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -125.92 99.95 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 169.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.38 145.49 18.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.53 177.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.8 p -106.71 -11.34 15.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.931 0.396 . . . . 0.0 111.231 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.02 -10.68 34.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -173.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.2 t -90.91 131.98 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.559 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 52.3 m -99.67 121.44 41.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.847 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -111.55 120.45 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.1 m -121.35 135.79 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -118.67 138.55 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.2 t -147.41 110.98 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.88 -116.51 9.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.445 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -99.99 -13.9 18.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -96.72 169.99 9.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -172.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 tt -142.36 136.01 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -113.44 121.77 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.8 mt -108.14 115.61 30.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.559 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 39.6 t-20 -104.13 109.93 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.3 mmm -105.75 137.85 19.45 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.939 -175.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.407 ' HA ' ' HD2' ' A' ' 133' ' ' ARG . 76.2 Cg_endo -70.37 131.78 21.06 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.733 2.288 . . . . 0.0 112.312 170.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 132' ' ' ARG . 96.8 m-20 -66.17 -33.7 76.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -172.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -63.78 -23.51 67.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -164.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.7 m -108.74 -8.53 11.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.435 HG21 ' HA3' ' A' ' 49' ' ' GLY . 89.7 m -107.38 -46.86 3.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 -175.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.3 165.56 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -80.43 165.03 22.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.846 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.7 p -74.01 -26.51 60.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.0 p -99.88 -30.65 11.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.824 -172.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.5 p -152.76 161.15 42.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -176.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.514 ' HB1' ' HG2' ' A' ' 89' ' ' GLN . . . -74.58 70.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.163 174.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.7 m -109.09 124.96 51.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.82 132.98 48.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -170.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.46 160.02 33.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.879 170.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -50.67 -42.76 49.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.75 95.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.435 ' HA3' HG21 ' A' ' 37' ' ' THR . . . -70.23 -37.78 71.69 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.439 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.84 85.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.33 . . . . 0.0 111.174 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -63.89 -41.69 97.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 83.1 m -65.16 -44.68 87.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.453 HD23 HG13 ' A' ' 94' ' ' VAL . 58.3 mt -65.6 -29.08 69.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.3 m -62.95 -40.08 96.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.217 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.83 -42.1 99.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.01 -46.21 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 111.146 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.19 -35.29 80.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 62.1 tpp -62.51 -31.79 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.2 t -80.44 -46.68 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.8 mt -64.05 -41.82 97.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -68.71 -46.5 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.021 -173.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -82.75 -24.47 33.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.806 -173.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -119.81 82.04 26.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.76 0.791 . . . . 0.0 110.863 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 47.6 Cg_endo -69.5 -178.15 2.11 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 142' ' ' LEU . 96.5 mttt 64.9 21.94 12.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -169.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 140' ' ' PRO . 67.8 m -123.92 132.34 53.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -175.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.45 138.0 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -111.61 132.75 59.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.42 132.29 54.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -114.7 123.7 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.2 mt -129.34 122.54 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -121.89 155.62 16.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 171.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -140.97 157.54 45.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.2 t -167.05 151.09 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.072 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -106.36 -58.58 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -170.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.2 p -91.51 5.85 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -160.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.5 p -94.84 40.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.596 ' HA3' HD21 ' A' ' 82' ' ' LEU . . . 118.54 -163.73 13.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.533 178.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -85.9 179.54 49.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.433 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -55.86 -50.44 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -43.91 91.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.596 HD21 ' HA3' ' A' ' 78' ' ' GLY . 59.5 tp -65.79 -40.1 91.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.38 -39.11 93.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.73 -39.2 90.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.46 -39.76 85.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.15 -38.04 89.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 173.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.6 m -65.75 -35.78 81.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.467 ' CA ' ' HA3' ' A' ' 112' ' ' GLY . 72.9 tp60 -64.1 -42.39 96.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.514 ' HG2' ' HB1' ' A' ' 43' ' ' ALA . 44.0 tt0 -64.88 -44.02 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 174.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -62.26 -45.09 94.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -65.01 -41.4 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -68.42 -32.1 71.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.8 m -62.02 -40.71 96.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.453 HG13 HD23 ' A' ' 53' ' ' LEU . 55.2 t -65.56 -45.78 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.04 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.0 m -61.13 -42.78 99.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.6 -45.51 90.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.582 ' HB3' HD12 ' A' ' 108' ' ' ILE . 0.6 OUTLIER -63.0 -41.49 99.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.572 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.99 -39.99 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 176.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.5 m -62.36 -32.61 73.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -81.9 -1.07 46.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.56 12.14 31.41 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 169.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.1 t -80.95 129.77 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -62.93 135.49 57.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.77 -24.98 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.7 p -68.38 -18.96 64.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -93.96 -7.36 43.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 98' ' ' LEU . 64.5 mt -117.86 125.03 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -139.42 112.06 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 173.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.502 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 63.6 p -128.37 149.13 50.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -172.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -139.92 145.53 38.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.467 ' HA3' ' CA ' ' A' ' 88' ' ' GLN . . . -89.96 118.88 5.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.0 mt -120.1 148.71 43.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.17 -170.71 41.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -62.37 131.47 34.2 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.643 2.229 . . . . 0.0 112.387 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.0 -64.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -174.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -132.71 81.26 59.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.661 0.744 . . . . 0.0 110.923 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.26 145.29 53.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.281 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.47 -50.18 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.23 163.59 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -175.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.656 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.2 t -68.01 141.96 56.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -73.32 -7.67 52.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.881 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -76.06 -7.04 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.0 p -118.41 155.51 30.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.37 95.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.116 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.2 -38.05 84.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.656 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.8 -39.81 98.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 178.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.54 -41.34 89.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 176.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.67 93.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -70.37 -25.44 63.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -78.88 -21.46 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.426 ' HB3' ' HB2' ' A' ' 34' ' ' ASN . 98.1 mtt180 -86.29 61.98 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 33' ' ' PRO . 52.5 mmm-85 -128.27 144.6 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -178.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.9 139.93 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.138 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -113.88 128.43 56.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.4 mt -115.8 119.49 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.6 m -111.95 124.1 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.9 mp -110.59 126.52 54.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.5 t -145.21 124.7 6.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.97 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 73.5 Cg_endo -70.14 128.7 16.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.283 174.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.8 mt -119.28 -24.13 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -175.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 65' ' ' LYS . 8.2 mp 58.08 30.4 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -176.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -167.96 165.05 13.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -149.45 143.38 25.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -121.52 -54.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -160.27 162.17 33.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -152.1 175.03 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 175.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -159.95 170.08 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.89 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -60.62 -44.74 95.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.93 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.2 mmm -72.16 -30.43 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.47 -33.64 76.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.1 t -78.74 -46.02 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.93 -40.28 94.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.66 -45.03 95.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.76 95.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.12 -41.9 97.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.78 -41.03 96.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -65.04 -39.68 93.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.98 -42.92 94.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.33 -28.53 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.1 mtt -100.57 4.43 43.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -127.29 97.78 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.798 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.46 152.57 29.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -90.46 -3.89 57.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 111.258 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.01 -3.05 64.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -172.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -92.87 134.06 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 111.187 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -93.09 127.77 38.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -106.6 120.05 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.3 m -121.77 136.18 54.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -110.75 139.46 46.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.1 t -147.4 116.39 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.8 -124.69 36.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -102.26 10.07 39.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -118.49 170.77 8.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 tt -141.77 135.24 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.6 mt -120.49 127.75 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.16 119.74 40.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -104.19 109.34 21.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.1 ptp -120.1 129.83 25.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.871 -174.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HA ' ' HD2' ' A' ' 133' ' ' ARG . 91.6 Cg_endo -74.4 143.84 31.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -56.17 -33.33 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.91 -28.37 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -166.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.31 -21.54 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -171.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 94.5 m -96.39 -52.07 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -115.68 169.52 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.86 144.84 56.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 169.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.3 p -65.11 -24.99 67.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.9 p -107.94 -20.5 13.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -173.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -138.31 145.01 40.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 -172.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' HB3' ' HG3' ' A' ' 90' ' ' ARG . . . -72.01 57.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.069 168.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.5 m -112.43 125.2 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 50' ' ' ALA . 31.2 tp -68.73 132.48 46.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -169.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -92.05 159.71 37.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.866 172.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -51.91 -44.41 45.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.36 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.16 82.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.79 -35.95 73.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -65.0 -36.67 85.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 111.199 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.35 -44.35 95.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.0 m -66.54 -42.93 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -64.67 -29.61 70.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.2 m -64.74 -38.23 90.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.37 -41.13 99.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.535 172.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.55 -43.29 98.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 111.156 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.11 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.014 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.5 tpp -58.78 -24.26 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 177.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -93.2 -48.29 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 -174.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.59 -37.23 71.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -67.93 -43.36 79.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 -175.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -81.06 -29.64 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -120.1 84.37 33.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.682 0.753 . . . . 0.0 110.892 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 58.3 Cg_endo -72.43 165.88 31.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.224 . . . . 0.0 112.316 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 89.1 mttt 71.8 32.94 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -174.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 140' ' ' PRO . 94.4 m -111.99 135.79 52.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.205 176.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.442 ' HB3' HD12 ' A' ' 141' ' ' LEU . . . -87.02 133.16 33.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.415 ' HB ' ' H ' ' A' ' 109' ' ' ARG . 67.4 t -115.85 124.94 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 -176.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -122.11 110.48 15.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.813 171.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.29 115.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.5 mt -131.04 122.13 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.1 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.596 ' HA3' HG23 ' A' ' 134' ' ' VAL . . . -120.07 161.27 14.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 171.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -146.05 150.31 35.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.89 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.1 t -171.05 149.62 2.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.078 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -117.91 -41.15 2.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.9 p -88.36 34.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -169.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.4 p -128.84 39.99 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.681 ' HA3' HD21 ' A' ' 82' ' ' LEU . . . 120.9 -157.54 15.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.527 178.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.93 -172.14 46.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.397 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -60.16 -54.98 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.906 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.79 -41.34 95.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.681 HD21 ' HA3' ' A' ' 78' ' ' GLY . 54.6 tp -65.99 -40.0 90.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.67 -38.81 89.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.3 mmm -72.43 -39.58 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.78 -37.14 81.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.1 mt -66.2 -39.89 89.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -62.28 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.9 -44.07 86.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -70.05 -41.67 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.429 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 91.1 mtt-85 -64.53 -41.16 96.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.489 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -62.77 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -70.1 -31.47 69.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -64.8 -35.15 80.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.98 -46.41 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.76 99.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.2 m -59.55 -43.58 93.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.46 91.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.066 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.69 -40.84 96.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.93 -40.18 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.035 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -62.92 -33.03 74.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -82.12 -0.06 42.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.34 11.21 36.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 170.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.8 t -85.26 127.34 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -59.54 133.57 56.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.14 -25.91 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.091 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.0 p -71.28 -17.37 62.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -92.67 -4.97 52.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 51.5 mt -116.38 131.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.415 ' H ' ' HB ' ' A' ' 68' ' ' VAL . 53.0 mtm180 -133.02 140.93 47.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.827 172.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 59.9 p -134.62 152.78 52.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -176.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -139.72 126.31 20.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 170.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.04 85.54 1.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.544 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.5 mt -101.63 155.87 17.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.84 -173.31 45.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.18 137.16 54.89 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.658 2.238 . . . . 0.0 112.443 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -129.83 -58.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -132.33 78.6 67.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 172.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.66 144.03 76.77 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' A' ' 130' ' ' GLN . 96.6 mt -75.15 -54.48 14.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 -173.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.511 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -137.47 160.36 39.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -175.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.661 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.4 t -67.18 141.48 57.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.0 p30 -74.4 -1.56 21.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.961 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.3 p -76.7 -7.65 55.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.3 p -117.78 154.09 32.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 172.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.26 94.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.12 -41.57 90.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.661 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -61.42 -39.37 97.19 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.523 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.99 -42.5 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.26 -44.0 89.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.404 ' HB3' ' HB ' ' A' ' 119' ' ' ILE . 99.4 mm-40 -66.01 -22.76 66.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -80.94 -21.54 40.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.73 71.28 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 33' ' ' PRO . 39.9 mmm-85 -130.32 144.98 51.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -171.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.596 HG23 ' HA3' ' A' ' 72' ' ' GLY . 92.5 t -127.91 134.77 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 170.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -119.72 134.36 55.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.8 mt -112.35 123.66 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.2 m -109.3 121.94 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.108 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 51.0 mt -115.55 121.1 41.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 43.7 t -143.24 118.95 6.47 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 56.3 Cg_endo -70.77 134.24 25.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.617 2.211 . . . . 0.0 112.268 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.442 HD12 ' HB3' ' A' ' 67' ' ' ALA . 99.2 mt -126.01 -13.86 6.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 65' ' ' LYS . 62.2 mt 60.7 31.61 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.011 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -166.96 166.41 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -150.5 143.69 24.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -119.99 -55.04 2.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.858 -173.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -159.83 163.94 34.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -161.7 -176.56 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -141.62 171.2 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 176.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -178.042 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -60.76 -43.32 98.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.8 mmm -72.68 -30.29 64.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -66.94 -33.65 76.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.5 t -76.98 -45.67 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.93 -41.27 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.78 -44.24 97.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.63 94.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.076 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.98 -42.0 98.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.5 mt -65.11 -39.14 92.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -59.93 -41.11 91.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.64 -40.64 95.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.97 -21.97 65.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.0 mtt -94.59 7.02 47.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -127.73 100.01 5.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.848 169.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.46 144.05 13.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 174.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.9 p -89.98 -8.65 51.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 111.191 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.08 -16.48 30.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.51 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.3 t -85.17 130.93 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.9 t -90.15 126.16 35.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -106.41 120.47 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.1 m -120.17 133.63 55.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -115.58 139.0 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -149.25 116.07 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.72 -123.26 32.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.498 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -102.09 9.51 40.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -119.36 170.97 8.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 tt -141.17 135.17 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.5 mt -115.59 124.95 72.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.7 mt -107.92 120.45 42.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -103.1 108.31 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.482 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 64.7 mtt -108.98 132.22 21.32 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 -170.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.495 ' HA ' ' HD3' ' A' ' 133' ' ' ARG . 34.0 Cg_exo -62.09 133.88 46.42 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.658 2.238 . . . . 0.0 112.395 174.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.46 -31.0 72.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 174.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.3 -23.94 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.42 HG23 ' HB2' ' A' ' 33' ' ' PRO . 23.2 m -114.25 -15.48 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.631 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 96.0 m -101.36 -50.56 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.059 -175.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -111.2 172.0 7.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 42' ' ' SER . 36.2 t0 -80.2 154.31 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 170.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.3 p -73.27 -24.38 60.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -106.43 -19.85 13.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -173.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 29.6 t -147.2 148.78 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -173.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.66 59.84 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 168.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.5 m -117.37 129.48 55.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.37 137.27 55.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -171.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.64 160.17 50.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.852 168.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -50.2 -46.07 30.41 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.614 2.209 . . . . 0.0 112.372 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.631 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -74.13 -38.44 47.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.434 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.97 84.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.204 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -66.02 -42.01 90.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -64.87 -44.18 90.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.229 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.1 mp -63.32 -34.56 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 176.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 83.4 m -65.54 -40.39 92.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 174.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.81 -41.51 96.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.82 -41.33 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 173.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.454 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -61.97 -37.24 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.6 mmt -64.36 -22.78 67.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.795 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.6 t -87.33 -44.04 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.89 -33.54 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -75.38 -40.99 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 -174.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -78.25 -30.73 48.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -123.03 77.78 51.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.684 0.754 . . . . 0.0 110.922 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.454 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 57.2 Cg_endo -73.12 -178.52 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.6 2.2 . . . . 0.0 112.313 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 88.8 mttt 72.33 34.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -176.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.6 m -126.19 138.36 53.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 139' ' ' SER . . . -93.77 136.68 33.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 -175.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.14 124.91 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.03 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -119.66 116.4 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 173.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.52 117.99 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.3 mt -131.66 125.67 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.437 ' HA3' HG23 ' A' ' 134' ' ' VAL . . . -111.48 151.5 17.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.559 173.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.465 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 46.4 p90 -136.47 141.74 43.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 t -171.4 148.54 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -111.65 -50.11 2.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.9 p -88.27 23.45 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -166.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.4 p -109.71 41.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.108 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.548 ' HA3' HD21 ' A' ' 82' ' ' LEU . . . 116.74 -162.45 12.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.36 -174.26 49.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -58.43 -54.45 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.68 -42.66 95.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.548 HD21 ' HA3' ' A' ' 78' ' ' GLY . 52.6 tp -65.93 -37.8 86.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -178.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -62.2 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 99.3 mtp -63.19 -40.47 97.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.59 -43.28 85.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.64 -39.16 93.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.0 t -61.68 -40.53 95.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.462 ' HB2' ' HA3' ' A' ' 112' ' ' GLY . 71.7 tp60 -62.06 -44.66 96.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.909 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.78 -44.32 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -65.53 -39.39 91.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.404 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -63.56 -41.6 98.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 174.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.64 -32.98 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.8 m -63.75 -36.96 85.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.66 -47.2 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.099 173.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.95 98.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.5 m -58.05 -42.7 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.99 80.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 57' ' ' ALA . 98.3 mt -62.38 -44.05 97.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.9 mt -65.01 -40.78 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 m -63.63 -34.49 77.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -82.62 -0.3 46.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.11 11.91 24.91 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 167.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.1 t -84.74 128.12 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.145 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -57.96 124.6 19.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.14 68.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.5 p -65.67 -18.2 65.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 -170.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -95.33 -5.66 42.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -177.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 79.4 mt -109.47 131.43 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -132.23 134.81 45.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.404 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 58.2 p -122.54 149.27 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -177.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -139.63 130.21 25.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.786 174.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.462 ' HA3' ' HB2' ' A' ' 88' ' ' GLN . . . -85.36 91.86 1.73 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.517 172.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 72.4 mt -106.82 156.24 18.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.63 -164.75 29.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.465 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 34.0 Cg_endo -61.87 136.37 61.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.405 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.98 -64.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -130.73 79.54 71.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.614 0.721 . . . . 0.0 110.853 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -66.86 140.65 56.08 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.27 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.466 ' HB ' ' HB3' ' A' ' 130' ' ' GLN . 97.3 mt -65.69 -46.77 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -178.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.487 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -137.17 160.81 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.764 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 31.4 t -65.96 141.26 58.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.802 -175.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -76.11 -1.55 26.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -76.48 -8.6 57.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.2 p -120.3 156.97 30.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.39 94.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.24 -38.12 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.764 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.91 -37.96 94.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.596 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.04 -40.17 96.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 175.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.21 90.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.466 ' HB3' ' HB ' ' A' ' 119' ' ' ILE . 99.6 mm-40 -71.17 -25.85 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -65.1 -34.59 78.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.04 80.45 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.495 ' HD3' ' HA ' ' A' ' 33' ' ' PRO . 90.3 mmt-85 -137.82 148.51 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -173.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.437 HG23 ' HA3' ' A' ' 72' ' ' GLY . 79.9 t -125.85 137.44 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -116.59 136.96 52.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -175.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.0 mt -112.0 124.68 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.1 m -108.94 123.8 49.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -175.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 58.5 mt -110.55 120.09 41.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.54 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 47.1 t -155.21 118.19 2.43 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.763 0.792 . . . . 0.0 110.888 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.81 122.6 9.26 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.623 2.216 . . . . 0.0 112.311 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.32 -15.19 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 64.3 mt 55.04 41.57 31.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -159.95 164.26 33.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -127.56 143.26 51.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -175.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -134.93 -44.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -163.46 141.1 7.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.853 -175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.33 164.97 38.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -171.77 164.95 6.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 149' ' ' HIS . 85.9 t60 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -60.39 -42.84 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.9 mmm -72.37 -30.42 64.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.79 -33.42 74.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 72.0 t -76.51 -45.54 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.83 -40.89 95.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.64 -42.24 99.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.91 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.17 94.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.13 -41.07 97.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.77 -37.42 87.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -59.37 -41.99 90.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.4 -40.74 93.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 174.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.16 -22.66 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.877 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.0 mtt -94.6 6.78 47.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -128.31 99.57 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 168.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.59 151.46 28.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.586 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.2 p -91.43 1.85 56.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 111.153 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.23 -12.51 40.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.59 -173.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.446 HG22 HG22 ' A' ' 52' ' ' THR . 81.0 t -87.71 135.11 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.009 0.433 . . . . 0.0 111.097 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.8 t -92.71 126.07 37.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.8 t -107.87 120.38 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.6 m -123.29 135.28 54.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.21 139.46 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -144.54 109.24 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.54 -123.24 28.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.513 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -95.13 -5.15 44.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -109.66 168.57 9.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.0 tt -142.14 135.04 28.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.9 mt -119.71 127.84 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.5 mp -107.81 127.29 53.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -102.45 108.79 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.7 mtt -106.75 123.85 37.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.923 -171.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HG2' HG23 ' A' ' 36' ' ' VAL . 84.4 Cg_endo -75.37 132.53 15.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 173.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.533 ' HB2' ' HB2' ' A' ' 38' ' ' PHE . 2.4 p-10 -59.64 -26.35 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 178.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.93 -27.76 65.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -168.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.44 HG23 ' HG2' ' A' ' 33' ' ' PRO . 33.9 m -119.94 -14.97 8.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.032 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.891 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 97.5 m -100.86 -52.2 3.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -175.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.533 ' HB2' ' HB2' ' A' ' 34' ' ' ASN . 77.6 m-85 -108.76 -178.5 3.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.663 ' HB3' ' O ' ' A' ' 42' ' ' SER . 39.9 t0 -77.58 161.83 27.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 167.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.2 p -74.18 -26.44 60.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.5 p -107.48 -26.05 11.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.799 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.663 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 96.0 p -144.01 159.89 41.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -170.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.579 ' HB1' ' HG2' ' A' ' 89' ' ' GLN . . . -75.99 61.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 169.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.1 m -108.75 119.38 39.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 170.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.45 136.97 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.62 160.35 39.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 168.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -51.58 -47.24 27.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.85 95.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.891 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -74.8 -38.13 42.96 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.419 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.04 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 111.114 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.87 -41.26 95.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.446 HG22 HG22 ' A' ' 19' ' ' VAL . 89.5 m -65.83 -42.48 90.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.225 175.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.74 -33.35 75.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.5 m -64.44 -39.88 94.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.219 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.4 97.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.492 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.09 -41.35 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.11 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.97 78.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.6 mtp -62.37 -20.6 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.2 t -94.82 -47.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.166 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.98 -38.97 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -63.12 -42.05 99.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.049 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 97.0 mt-10 -84.68 -28.24 26.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.772 -175.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -109.21 92.36 11.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.699 0.762 . . . . 0.0 110.928 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 93.7 Cg_endo -80.11 176.01 9.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.4 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 142' ' ' LEU . 94.0 mttt 71.55 25.76 3.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 174.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.9 p -122.37 151.63 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 175.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -108.28 134.57 50.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 68.0 t -109.58 125.88 66.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 177.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -114.97 119.03 35.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -106.69 117.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.2 mt -132.62 128.45 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 134' ' ' VAL . . . -109.83 152.61 17.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 172.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.462 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 44.8 p90 -137.56 142.9 41.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.908 0.385 . . . . 0.0 110.943 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.2 t -170.48 152.92 4.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -104.76 -63.8 1.18 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -167.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 99.1 p -90.82 3.94 53.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -161.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 47.7 p -88.8 41.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.49 177.03 15.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.22 -175.89 34.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -53.97 -51.18 64.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 110.993 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.31 -43.81 93.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.21 -35.54 78.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -66.08 -41.03 91.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 97.8 mtp -58.89 -39.4 81.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.32 -45.32 73.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.24 -42.25 99.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 174.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -61.19 -40.1 92.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.408 ' HB2' ' HA3' ' A' ' 112' ' ' GLY . 72.6 tp60 -61.64 -42.38 98.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 177.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.579 ' HG2' ' HB1' ' A' ' 43' ' ' ALA . 40.0 tt0 -66.87 -48.51 68.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -66.46 -36.29 82.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.39 97.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.72 -32.66 73.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.8 m -63.09 -37.44 87.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.802 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.17 -48.87 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.184 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.08 97.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.048 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.1 m -58.26 -45.75 87.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.04 80.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.147 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.81 -40.55 95.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.17 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.3 m -62.22 -32.47 73.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.65 -0.68 48.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.34 9.9 30.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 169.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.88 127.79 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.136 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -60.95 131.4 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.06 -24.42 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.2 p -68.98 -14.26 62.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -90.3 -18.23 25.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.47 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 73.1 mt -122.53 134.56 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 -173.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -135.66 148.86 49.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 169.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.7 p -126.59 149.2 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -142.17 127.54 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 171.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' A' ' 88' ' ' GLN . . . -82.84 114.07 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 175.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 90.0 mt -126.18 155.45 41.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.38 -163.25 9.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.433 174.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.462 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 35.3 Cg_endo -62.99 137.4 62.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.8 -65.01 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -125.8 84.69 60.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -68.33 160.51 48.73 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.689 2.26 . . . . 0.0 112.311 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.0 mt -94.5 -45.28 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.632 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -142.09 163.53 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.604 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 37.8 t -63.31 137.32 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.771 -174.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -77.39 1.74 18.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.4 p -76.31 -7.28 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.9 p -118.56 156.58 28.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.253 173.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.69 92.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.12 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.52 -41.96 92.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.632 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -63.42 -44.18 97.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -60.36 -43.45 96.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.43 -48.83 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.6 -29.89 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -172.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -72.17 -18.15 61.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.4 ttp-105 -86.02 85.0 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 73' ' ' TYR . 90.3 mmt-85 -140.97 155.32 46.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -172.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.408 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 92.8 t -125.3 133.06 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 170.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -114.77 136.96 52.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.8 mp -113.36 124.74 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 87.3 m -107.73 123.33 48.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.094 -176.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.572 ' C ' HD21 ' A' ' 138' ' ' LEU . 6.5 tt -113.57 113.26 24.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 43.6 t -134.69 120.07 14.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 110.9 -173.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.96 122.84 9.46 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 94.9 mt -129.12 -14.31 4.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 65' ' ' LYS . 39.1 mt 56.55 35.13 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.002 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -167.27 167.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.37 146.74 28.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -118.89 -55.4 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -175.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -163.87 161.15 22.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -159.38 -179.46 7.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.873 174.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -149.56 164.35 35.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 66.4 m80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -177.489 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -66.26 -24.95 66.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.7 mmm -69.39 -34.84 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.13 -30.63 66.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.67 -47.36 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.16 -39.46 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.08 -41.37 96.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.4 95.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.97 -41.55 98.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.78 -36.96 86.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -59.98 -41.62 92.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.17 -40.57 94.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.68 -21.49 65.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.1 mtt -94.78 5.81 50.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -175.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -125.71 100.04 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.943 169.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.39 142.32 11.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.509 174.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.1 p -90.03 -9.28 49.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.88 -11.98 29.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -175.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.5 t -94.39 131.68 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -92.32 128.39 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.3 t -104.86 121.4 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -121.5 137.07 54.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -108.67 133.78 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.6 t -143.07 109.23 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.39 -124.01 33.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.445 -176.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -99.46 7.57 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.822 0.344 . . . . 0.0 110.843 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -120.89 167.36 12.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.1 mt -127.45 133.65 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.8 mt -112.92 122.5 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.1 mt -106.66 116.05 31.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -102.3 108.68 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.8 ptp -122.85 128.84 25.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.953 -175.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.24 146.0 44.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.44 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -55.6 -29.19 58.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.834 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.81 -25.88 66.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 m -112.22 -19.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.2 m -108.74 -49.67 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -174.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.41 178.85 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.912 -174.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -67.78 167.61 13.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 166.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.7 p -62.52 -29.09 70.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -172.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.1 p -136.72 -11.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 -174.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -120.97 156.73 31.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 -162.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.04 51.29 2.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.5 m -112.81 125.08 53.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.81 140.46 53.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -84.64 158.41 59.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 165.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.42 -45.12 35.99 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.56 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.072 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.13 -38.36 59.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.96 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.204 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.39 -42.92 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.8 m -63.49 -45.15 92.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.0 mt -65.32 -29.64 70.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.5 m -64.77 -40.29 95.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 172.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.62 -39.73 96.94 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.98 -41.45 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.99 79.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.017 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.01 -21.99 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.6 t -92.27 -46.0 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.089 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.14 -40.6 94.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -66.26 -46.06 78.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.975 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -78.53 -25.67 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.76 85.64 28.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.46 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 73.8 Cg_endo -71.71 177.11 7.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 94.9 mttt 70.46 16.64 7.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.6 p -122.35 148.27 45.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.153 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.74 139.39 48.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.7 130.25 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 173.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -120.07 130.25 54.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.8 t -111.7 121.53 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.1 mt -128.34 121.8 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.42 151.72 16.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -144.15 149.6 36.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.938 0.399 . . . . 0.0 110.939 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 t -169.9 155.11 5.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 -174.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -110.28 -58.85 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 -170.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 p -89.5 15.78 8.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -165.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.1 p -109.09 35.22 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.041 172.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.443 ' HA3' HD21 ' A' ' 82' ' ' LEU . . . 113.55 -171.3 13.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.506 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -87.51 -178.25 48.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.433 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.56 -48.43 72.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 110.835 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.05 -47.84 75.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.443 HD21 ' HA3' ' A' ' 78' ' ' GLY . 63.0 tp -65.81 -40.25 91.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -66.98 -38.82 86.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.9 ttp -54.98 -39.02 68.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 170.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.57 -43.08 85.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.29 -39.15 89.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.0 t -60.84 -39.88 90.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.61 -42.39 95.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -68.3 -42.52 79.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.53 -37.5 87.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.42 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.23 -41.71 94.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.7 m -63.74 -41.4 98.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.86 -44.98 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.18 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.89 98.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -61.49 -43.79 98.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.08 90.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.1 -42.95 99.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.34 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m -62.94 -34.97 78.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -84.31 1.87 42.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.03 10.06 30.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 166.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.59 128.45 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.224 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.05 133.69 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.43 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.7 p -70.0 -19.22 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -90.91 -5.78 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.812 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 58.9 mt -106.97 125.18 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.178 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -135.24 114.65 12.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.1 p -128.91 146.78 50.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -136.86 145.53 44.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 171.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.38 102.16 1.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.3 tp -117.03 123.8 47.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.85 -167.61 23.65 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.35 129.38 33.74 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.669 2.246 . . . . 0.0 112.424 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.01 -48.87 2.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -134.63 96.73 14.8 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.69 0.757 . . . . 0.0 110.891 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -53.78 146.99 42.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.298 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.1 mm -86.89 -49.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.519 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -145.02 167.89 21.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.037 176.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.1 t -65.82 135.07 54.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -77.56 2.46 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.1 p -75.77 -6.95 53.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 175.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.7 p -118.64 152.86 35.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.152 172.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.16 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.6 -41.77 79.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.519 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -62.42 -38.98 97.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.509 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.6 -43.64 93.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.65 -45.54 75.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.29 -24.94 66.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.89 -20.26 63.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -90.21 80.09 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -136.77 151.49 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.3 t -127.45 138.2 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -118.48 130.24 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 81.5 mt -117.46 125.47 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.144 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 95.7 m -113.8 124.78 53.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -172.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 mp -107.37 122.85 47.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.405 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 46.6 t -144.34 121.0 6.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.711 0.767 . . . . 0.0 110.893 -171.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 32.6 Cg_exo -57.92 132.64 50.88 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 171.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt -128.4 -22.35 3.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 35.2 mt 57.89 34.2 24.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -170.01 168.6 8.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -137.88 145.14 41.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.794 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -119.16 -55.05 2.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -168.8 160.87 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -150.47 175.93 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -157.47 166.4 33.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 149' ' ' HIS . 86.0 t60 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.899 0.381 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -65.01 -29.99 70.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -171.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.2 mmm -69.48 -35.11 75.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.26 -30.41 66.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -70.82 -49.32 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -63.87 -42.64 97.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 174.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -57.03 -44.42 82.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.8 -46.29 91.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.64 -42.25 95.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.974 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.29 -38.42 90.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -63.02 -41.03 99.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.5 -39.95 92.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.98 -27.86 68.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 77.5 mtm -100.72 -3.8 29.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -135.55 65.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 172.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.42 109.93 3.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.473 -171.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.8 p -126.39 -33.2 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 111.095 171.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.94 0.32 89.36 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -173.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 30' ' ' LEU . 11.4 p -139.63 141.9 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 0.0 111.071 -176.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -86.24 123.34 31.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.812 178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -104.95 123.7 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 -171.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.5 m -120.66 138.16 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.22 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -99.91 127.58 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.895 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.0 t -136.17 101.62 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.86 -124.67 31.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -173.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -98.81 10.13 41.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 174.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -109.11 160.38 16.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.15 129.7 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -111.33 119.39 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 86.2 mt -108.14 125.61 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -178.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -108.05 112.27 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 175.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.8 ttp -121.55 121.55 28.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.478 0.656 . . . . 0.0 110.876 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.426 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 59.2 Cg_endo -71.26 135.91 27.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.385 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -69.32 -39.99 77.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.813 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -73.6 -20.58 60.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -169.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.426 ' HB ' ' HG2' ' A' ' 33' ' ' PRO . 97.7 t -88.28 -29.54 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 76.2 p -112.31 -19.08 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -172.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.48 159.03 25.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 172.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.471 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 68.0 t0 -62.14 129.67 41.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 176.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.9 p -63.47 -21.46 66.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.2 m -88.32 -39.1 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.3 p -146.93 159.79 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -173.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.2 63.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.1 m -113.69 126.88 55.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 166.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.58 134.79 56.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 95.2 mttt -82.64 155.23 68.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.958 171.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.53 -42.86 59.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.634 2.222 . . . . 0.0 112.375 174.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.76 76.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.63 81.56 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.25 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.095 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.32 -43.75 90.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.3 m -61.14 -46.5 90.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.54 -32.24 73.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.0 m -64.72 -40.05 94.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.22 -44.48 98.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.453 173.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.0 t -57.36 -40.33 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.083 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.54 99.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.073 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.7 mmm -64.67 -27.94 69.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.821 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.7 t -80.66 -43.52 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.17 -32.63 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.98 -36.43 75.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.3 -29.96 66.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -114.27 80.9 6.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.65 155.47 62.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 68.11 40.52 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.8 p -127.81 162.6 26.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -109.44 132.29 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.62 127.01 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -118.22 123.11 44.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.3 t -113.41 123.12 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.08 119.76 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.68 143.37 16.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.556 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -144.24 154.98 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.947 0.403 . . . . 0.0 110.897 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.0 t -169.09 153.2 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.18 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.25 -57.69 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -178.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.5 p -84.72 -3.93 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 -162.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.9 m -44.63 -56.95 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.116 173.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.403 ' HA3' HD21 ' A' ' 82' ' ' LEU . . . 174.96 -115.18 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 166.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.45 173.3 45.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -176.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -57.14 -53.15 61.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.818 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.5 -41.49 96.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.403 HD21 ' HA3' ' A' ' 78' ' ' GLY . 64.0 tp -64.42 -43.74 93.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 -178.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.79 -44.16 96.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.417 ' SD ' ' HA ' ' A' ' 113' ' ' LEU . 62.8 tpp -63.07 -44.17 96.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.976 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.37 -45.77 68.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -175.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mp -67.56 -39.37 84.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.9 m -62.75 -41.23 99.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.765 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.455 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 73.0 tp60 -67.6 -35.85 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -66.35 -39.08 88.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -64.29 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.727 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -62.14 -40.9 97.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -64.06 -37.4 87.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.5 m -65.97 -38.51 88.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.93 -46.46 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.148 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.67 98.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.5 m -60.08 -43.58 95.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.09 86.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.1 -41.43 99.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.97 -41.54 92.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.7 m -62.67 -32.93 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -85.07 1.6 47.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.33 12.07 40.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.598 166.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.1 t -84.73 127.23 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.775 0.321 . . . . 0.0 111.129 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -56.87 128.37 36.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.39 69.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.8 p -68.97 -18.21 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -92.36 -8.22 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.8 mt -106.23 128.36 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -173.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -130.52 124.37 31.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.727 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 55.2 p -125.76 149.1 48.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -175.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -145.26 128.43 16.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.835 173.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.455 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -90.87 133.25 11.7 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 167.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.417 ' HA ' ' SD ' ' A' ' 84' ' ' MET . 89.0 mt -129.4 149.88 51.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.969 0.414 . . . . 0.0 110.876 177.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.69 -157.7 6.89 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 165.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -63.95 124.0 12.84 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.602 2.201 . . . . 0.0 112.363 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.26 -45.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -140.56 81.95 16.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.917 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.32 142.55 73.3 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 47.0 pt -103.43 -20.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 -174.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -136.76 168.43 19.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.4 t -71.06 133.36 46.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -71.6 -15.33 62.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.5 p -80.15 -6.13 57.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 90.4 m -114.45 139.64 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.85 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 -174.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.2 -39.99 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.3 -46.3 79.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.549 -175.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -65.13 -32.13 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.831 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.31 96.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.1 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -69.4 -26.86 64.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.1 -11.98 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.784 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -87.42 81.48 7.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 171.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -143.65 147.4 34.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -169.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.78 139.51 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -113.67 132.32 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.518 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 4.9 mp -117.3 122.15 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -111.23 125.58 53.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.201 -176.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.482 ' C ' HD21 ' A' ' 138' ' ' LEU . 6.6 tt -107.96 115.46 30.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.9 t -136.98 118.24 11.05 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.725 0.774 . . . . 0.0 110.849 -175.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.07 134.82 65.87 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.663 2.242 . . . . 0.0 112.438 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 57.5 tp -161.61 125.49 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.929 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 89.4 mt -95.97 54.73 1.51 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -170.07 130.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.97 144.82 39.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -157.12 142.8 17.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -130.65 77.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.835 -176.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -79.55 -59.91 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.13 159.85 40.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.927 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -66.91 -24.28 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.5 mmm -70.55 -32.86 70.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.52 -27.85 65.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.64 -48.31 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.71 -39.83 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.09 -41.38 98.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.18 -41.83 97.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.0 -37.1 86.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -60.66 -41.82 95.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.59 -40.5 95.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.4 -22.9 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.1 mtm -95.35 3.0 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -79.84 90.04 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.2 -179.56 50.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 177.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.7 p -87.1 -14.79 40.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.814 0.34 . . . . 0.0 111.105 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.21 -13.55 44.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.519 -171.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 87.7 t -88.93 134.7 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -96.73 123.54 40.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.9 t -105.24 122.33 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.7 m -119.91 136.0 54.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -103.34 132.73 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 171.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.3 t -141.1 102.76 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.23 -124.03 29.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.5 -171.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -99.56 1.22 43.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.741 0.305 . . . . 0.0 110.92 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -110.12 166.09 11.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -173.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.79 131.93 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.6 mt -117.39 121.81 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.4 mt -108.67 122.23 46.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -110.04 114.04 27.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.1 mtm -113.0 130.3 23.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.52 0.676 . . . . 0.0 110.858 -176.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -73.88 143.41 33.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.313 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -53.55 -40.08 65.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.32 -20.06 65.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -170.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.5 t -104.38 -26.69 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 -175.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.0 m -90.12 -51.24 5.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -171.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -116.63 153.17 32.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.8 146.53 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -67.6 -25.91 66.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.1 p -89.46 -15.78 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -168.41 145.32 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.51 63.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 170.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.7 m -111.84 133.59 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 164.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.33 135.08 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -172.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -79.08 154.94 77.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.546 0.689 . . . . 0.0 110.84 171.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 -40.07 66.41 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.364 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.12 -31.0 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.13 -36.85 44.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.488 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.32 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.041 175.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.42 -40.55 97.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 177.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -62.7 -44.28 96.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 mt -67.3 -28.06 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.2 m -64.04 -40.61 96.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 170.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.476 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -62.26 -38.79 96.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 172.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.17 -44.46 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 173.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.401 ' HB2' ' HE3' ' A' ' 61' ' ' LYS . . . -60.82 -39.4 88.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 175.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.45 -22.27 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 55' ' ' GLY . 93.6 t -94.57 -45.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.195 -175.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.03 -33.78 76.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 57' ' ' ALA . 95.7 mttt -71.92 -35.89 69.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -178.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.38 -31.26 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -119.97 83.68 31.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.675 0.75 . . . . 0.0 110.904 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -67.13 -15.67 47.02 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.627 2.218 . . . . 0.0 112.391 -175.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -92.58 26.31 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 p -124.57 151.02 45.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' HB3' HD13 ' A' ' 141' ' ' LEU . . . -115.94 148.59 39.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.079 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.67 131.31 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -117.62 120.22 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.2 t -106.3 117.52 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 71' ' ' ILE . 18.4 tt -127.16 127.24 69.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 -176.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.48 142.91 15.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -147.51 149.76 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.974 0.416 . . . . 0.0 110.984 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.4 p -135.28 147.37 49.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 166.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 131' ' ' ASN . 3.5 m-20 -138.77 18.43 2.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 -170.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.9 p -89.12 -62.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -172.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -162.32 -176.77 5.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 172.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.05 167.74 30.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.432 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.11 129.57 40.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -54.41 -46.55 73.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.23 -46.12 90.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.0 tp -64.99 -40.24 94.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -62.58 -51.28 67.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.8 ttm -47.85 -45.31 29.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 171.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.17 -45.98 89.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -174.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.15 -38.26 90.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.956 173.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.9 m -62.62 -39.54 94.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.79 -39.29 91.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -68.98 -47.8 64.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -175.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -65.97 -35.06 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.35 95.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.075 175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -67.28 -34.07 76.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m -64.05 -39.63 94.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.41 -42.9 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 173.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.77 85.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.7 m -61.23 -43.09 99.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.25 94.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.104 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 69.1 mt -59.71 -43.27 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.51 -40.83 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 175.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.9 m -64.02 -32.19 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.79 7.51 23.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 -177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.9 8.9 57.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 170.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.34 128.43 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 111.098 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -57.9 124.79 20.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.85 70.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.5 p -70.11 -19.04 63.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -90.46 -4.75 56.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.1 mt -102.33 134.14 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 -175.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -127.05 133.19 50.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 170.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.6 p -114.38 140.07 48.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -140.13 154.0 46.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.3 144.54 12.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.499 HD21 ' N ' ' A' ' 113' ' ' LEU . 2.6 pt? -152.57 160.79 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 177.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.2 -156.84 19.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.602 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -49.24 125.12 12.89 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.761 2.308 . . . . 0.0 112.272 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.08 -67.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -132.28 119.66 16.65 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.628 0.728 . . . . 0.0 110.936 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.84 146.17 41.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.6 mt -100.19 -46.1 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.15 168.0 16.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 174.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 t -67.58 133.22 49.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -174.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.7 -6.65 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 p -74.18 -9.3 58.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.8 p -121.4 153.39 37.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.183 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.65 81.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.72 -42.18 86.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.55 -40.3 97.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -60.95 -42.31 97.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 0.0 110.964 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.63 99.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -68.4 -25.8 65.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.454 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 94.3 m-20 -76.94 -16.72 59.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -90.36 84.55 6.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.89 155.55 48.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -175.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.9 t -123.53 136.08 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 171.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -117.02 130.03 56.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -169.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.1 mt -117.76 123.28 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.9 m -114.77 124.35 51.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.065 -173.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.15 121.56 45.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 91.5 p -147.16 149.15 34.27 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.646 0.736 . . . . 0.0 110.766 -173.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.31 135.14 59.55 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.638 2.226 . . . . 0.0 112.381 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 67' ' ' ALA . 47.4 tp -70.71 89.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 -178.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 77.4 mt -122.47 -1.81 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -159.74 169.09 24.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -148.57 142.15 25.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -142.96 178.9 7.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.814 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -164.91 113.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -165.04 114.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -111.56 -32.44 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.814 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -174.844 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -66.53 -24.39 66.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.999 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.8 mmm -70.16 -32.71 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.67 -27.81 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 81.6 t -79.7 -48.37 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -177.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -64.38 -40.41 95.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.75 -41.06 97.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.19 97.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.29 -41.28 96.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.14 -36.92 85.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -60.86 -41.83 96.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 178.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.89 -40.3 94.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.997 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.2 -23.09 65.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.4 mtm -95.27 3.4 54.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -79.72 89.94 5.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 171.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.86 179.44 51.65 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.2 p -80.22 -14.89 58.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 111.128 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.89 -14.46 45.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.507 -172.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.9 t -84.99 133.12 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 111.047 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -97.76 125.4 42.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.6 t -103.51 119.97 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.078 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -122.01 139.56 53.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -107.18 131.18 54.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 173.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -136.24 100.28 4.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.764 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.08 -127.71 35.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 -171.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.73 0.6 56.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 174.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -96.98 151.94 19.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.1 mt -122.46 124.39 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.3 mt -121.07 124.94 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mp -106.04 130.16 54.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 175.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -109.41 116.06 31.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 28.2 ttt -120.23 127.6 26.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.856 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 32' ' ' MET . 73.4 Cg_exo -54.9 138.74 78.24 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.289 -177.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -64.78 -32.99 74.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -69.48 -16.73 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 33' ' ' PRO . 33.4 m -113.51 -6.52 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 -178.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.8 m -95.86 -44.73 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -121.04 153.81 36.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 8.4 t70 -67.19 145.94 54.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -66.84 -24.42 66.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.5 p -93.16 -16.87 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -161.25 141.58 10.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.79 60.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 168.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.5 m -111.65 131.12 55.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 168.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.68 133.37 53.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -170.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 96.1 mttt -79.85 157.05 74.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.521 0.677 . . . . 0.0 110.858 172.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.96 -40.56 58.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.64 -33.49 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.84 -37.66 43.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.562 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.94 89.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.074 175.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.03 -41.93 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -62.27 -45.42 93.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 175.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.6 mt -64.83 -32.31 73.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 178.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.3 m -65.65 -39.97 91.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.44 -40.74 94.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 171.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.88 -40.66 87.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.773 0.321 . . . . 0.0 111.077 172.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.23 -40.84 78.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.9 mmm -63.81 -23.56 67.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.5 t -91.6 -45.08 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.226 -173.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD21 HG13 ' A' ' 103' ' ' VAL . 48.0 tp -63.51 -33.88 76.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.58 -40.66 95.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 177.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.74 -35.97 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -120.06 80.01 26.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.731 0.777 . . . . 0.0 110.843 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.15 -6.11 18.44 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.599 2.199 . . . . 0.0 112.351 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -92.21 17.1 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.4 p -122.7 158.43 30.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.616 ' HB3' HD13 ' A' ' 141' ' ' LEU . . . -116.08 144.88 43.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.126 177.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.03 123.0 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -116.74 115.4 25.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 175.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.38 125.01 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.52 131.46 72.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.22 144.84 15.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 172.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -149.98 159.84 44.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.009 0.433 . . . . 0.0 110.92 -175.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.407 HG21 ' HG2' ' A' ' 132' ' ' ARG . 98.1 m -139.94 139.45 36.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.182 169.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -138.32 17.06 2.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.833 -169.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.2 p -89.35 -60.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -176.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -161.47 -179.77 7.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.12 173.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.23 161.92 26.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.487 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.0 135.48 37.47 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 115' ' ' PRO . 81.2 t60 -54.8 -47.14 74.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.06 -49.65 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.17 -40.73 94.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -63.83 -50.26 69.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.4 ttp -49.97 -41.66 47.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 172.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.45 -45.99 81.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.83 -36.54 79.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 172.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 m -65.25 -38.82 91.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -60.35 -38.28 83.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 173.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -67.28 -40.68 86.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -57.6 -43.89 85.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 173.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.65 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -60.83 -44.96 96.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.08 -41.66 92.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 m -64.08 -39.34 93.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.15 -48.83 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.563 ' HB3' HG22 ' A' ' 110' ' ' THR . . . -60.14 -41.75 93.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.4 m -59.54 -47.24 86.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.05 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.35 -47.84 84.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.912 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.27 -40.32 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.1 m -62.99 -35.14 79.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 175.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -84.99 9.96 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.01 7.67 59.56 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 167.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.487 HG13 HD21 ' A' ' 60' ' ' LEU . 96.3 t -79.66 128.48 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 111.11 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -52.59 119.07 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.411 ' HA ' HD13 ' A' ' 108' ' ' ILE . . . -59.02 -34.13 71.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.5 p -71.0 -17.72 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -174.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -94.55 -8.7 37.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 105' ' ' ALA . 82.4 mt -92.81 133.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 -178.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -126.96 129.89 49.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 164.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.65 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 69.1 p -121.7 140.92 51.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.187 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -137.75 152.06 48.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.24 131.48 5.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.39 170.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.8 tp -142.64 141.47 31.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.08 -161.63 5.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.535 176.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 80' ' ' HIS . 78.9 Cg_exo -50.46 127.97 22.0 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.738 2.292 . . . . 0.0 112.364 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.96 -67.37 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -133.54 116.54 13.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.968 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.56 148.72 67.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.595 2.197 . . . . 0.0 112.372 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.0 mt -97.35 -49.15 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.54 168.68 15.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 172.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.404 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 41.5 t -65.72 132.57 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -171.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -74.45 -5.31 41.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 176.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 74.4 p -74.91 -9.03 58.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 59.7 p -121.13 155.14 35.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.25 87.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.035 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.29 -42.37 88.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -63.59 -41.43 99.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -62.36 -42.81 99.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.91 95.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -72.96 -21.12 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -175.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -74.54 -16.2 60.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.407 ' HG2' HG21 ' A' ' 74' ' ' THR . 97.2 mtt180 -90.18 83.51 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -128.05 160.72 31.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.787 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 99.4 t -121.55 139.97 47.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 170.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -114.93 130.06 56.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -167.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 85.5 mt -113.71 119.57 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 173.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.8 m -113.0 125.01 53.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -175.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 58.4 tp -111.92 123.06 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.421 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 89.2 p -147.05 149.81 36.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -178.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 73.6 Cg_exo -54.25 136.82 69.71 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.612 2.208 . . . . 0.0 112.415 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 67' ' ' ALA . 51.5 tp -79.71 93.22 5.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.97 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 81.5 mt -115.96 -12.2 11.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -162.91 165.01 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -177.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -119.83 126.51 51.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -158.08 162.1 38.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -165.0 115.0 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.725 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -165.93 140.34 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -139.99 -35.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 84.6 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.81 -177.343 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -65.4 -24.84 67.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.4 mmm -69.57 -34.95 74.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.92 -29.96 67.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.3 -46.94 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.048 -178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.46 -39.17 91.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.82 -41.6 97.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.13 95.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.69 -40.8 98.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.99 -36.48 84.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -60.81 -41.67 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.21 -39.82 93.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 174.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.53 -22.9 64.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.5 mtm -94.92 3.87 54.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.933 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -78.93 89.99 4.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 172.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.31 -176.51 51.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.7 p -88.87 -14.95 35.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 111.172 176.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.61 -11.26 53.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -171.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.9 t -89.68 133.56 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.6 t -97.47 123.77 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.08 123.4 62.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.3 m -120.39 135.93 54.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -101.6 128.16 48.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 172.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -137.0 103.4 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.94 -122.46 24.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -172.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -96.23 -9.04 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.322 . . . . 0.0 110.898 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -103.5 167.3 9.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -171.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.3 mt -122.04 134.04 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.5 mt -113.24 121.73 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 176.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.439 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 58.9 mt -107.16 123.51 48.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -107.4 109.24 20.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 89.2 mtp -111.18 138.35 21.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.527 0.68 . . . . 0.0 110.879 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.37 132.4 19.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.296 171.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -63.17 -26.51 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.822 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -58.76 -28.3 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 -167.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.4 m -110.36 -7.57 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -172.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.4 p -96.31 -51.84 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -151.19 172.04 16.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -92.66 117.33 29.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.1 p -52.14 -24.84 7.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.5 m -64.56 -42.77 95.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -161.84 139.09 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.88 80.68 1.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -168.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.5 m -105.41 122.67 46.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 166.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.13 127.49 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.77 157.9 51.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.528 0.68 . . . . 0.0 110.855 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.03 -44.12 52.82 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.57 86.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.09 -36.02 64.26 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 176.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.58 87.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 111.102 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.59 -46.82 84.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.4 m -69.11 -42.22 76.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.86 -34.76 79.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.983 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.8 m -64.36 -37.55 87.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 171.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.488 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -59.83 -39.31 95.25 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 172.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.25 -41.44 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 172.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.03 88.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.33 -22.14 66.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 55' ' ' GLY . 84.9 t -87.85 -43.55 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.61 -35.47 80.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -71.62 -36.12 70.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -72.67 -34.97 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 176.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.01 79.97 42.49 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.693 0.759 . . . . 0.0 110.924 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.01 -8.21 22.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.234 . . . . 0.0 112.371 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -90.2 12.31 18.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.4 p -121.41 152.11 39.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.18 151.81 34.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.46 131.17 64.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -120.1 115.18 23.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 172.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.8 t -113.09 124.1 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -176.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.5 mt -124.08 124.94 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.87 140.2 15.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -159.53 164.77 34.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.937 0.398 . . . . 0.0 110.939 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.8 p -130.62 151.12 51.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.099 171.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 118' ' ' PRO . 0.7 OUTLIER -138.31 22.53 2.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -173.606 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 98.0 p -91.25 -60.55 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -161.11 -177.0 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.184 169.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.66 161.44 24.06 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.434 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.01 138.74 39.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -55.0 -47.38 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.01 -47.5 80.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.09 -42.93 96.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.67 -45.27 90.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 60.5 ttm -54.46 -42.37 70.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.09 -42.78 93.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -177.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.17 -37.28 82.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 172.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.5 m -68.25 -34.54 76.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -60.86 -36.71 79.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 176.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.04 -40.53 96.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -63.09 -41.56 99.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.51 85.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.52 -40.79 96.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.4 m -65.07 -42.1 94.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.1 -47.02 86.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.01 96.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -61.94 -43.87 97.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.77 86.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.079 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.18 -42.14 98.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.915 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.61 -40.57 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.8 m -63.14 -32.79 74.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -86.1 7.31 25.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.98 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.5 9.94 56.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.498 167.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -83.59 129.62 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.912 0.387 . . . . 0.0 111.107 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -57.71 125.54 23.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.06 -26.75 64.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.096 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.5 m -65.85 -26.36 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -89.58 -6.02 56.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -176.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.7 mt -102.07 130.28 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -174.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -127.57 129.88 48.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 166.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.7 p -128.28 147.57 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.166 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -147.33 141.46 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -114.87 128.02 7.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.1 mt -130.07 156.49 44.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.948 -175.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -73.53 -165.63 10.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.61 167.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -48.28 127.04 14.74 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.98 -68.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -127.99 101.31 22.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.879 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.525 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 98.7 Cg_endo -78.25 163.45 27.63 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.278 177.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.4 mt -96.84 -47.48 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.58 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -137.83 170.05 16.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.083 -174.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.7 t -64.86 138.13 58.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -174.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.13 -4.91 41.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.8 p -76.26 -8.15 56.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.2 p -119.14 152.89 35.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.33 90.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.86 -41.63 91.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.58 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -64.86 -40.56 97.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -60.79 -43.57 97.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.985 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.18 97.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -70.81 -29.85 66.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -173.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -73.97 -6.85 49.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -169.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -84.91 84.81 7.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 172.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -127.5 145.22 50.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.754 -167.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.78 139.93 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 173.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -114.35 131.14 56.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -170.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.439 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 88.1 mt -117.7 120.24 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 173.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.3 m -110.85 124.33 51.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 83.2 mt -113.98 118.33 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 175.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 89.3 p -142.59 147.8 44.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 -173.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 52.9 Cg_exo -54.94 139.07 79.13 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.691 2.261 . . . . 0.0 112.298 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 44.0 tp -74.97 110.4 9.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.893 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.7 mt -106.67 -18.88 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -165.66 160.05 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -150.88 139.43 20.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -160.09 161.15 33.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -164.97 115.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -163.68 137.56 5.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -130.9 -40.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.789 -177.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 -176.4 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -65.19 -24.83 67.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.012 -177.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.2 mmm -69.81 -34.87 74.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.897 176.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.03 -30.05 67.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.0 t -74.94 -47.5 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.03 -39.57 93.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.98 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.97 -41.61 98.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.32 95.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.47 -41.03 98.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 175.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -64.91 -36.91 85.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.61 -41.62 95.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.936 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.95 -23.17 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.9 mtm -95.51 4.95 52.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.852 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -78.2 90.0 4.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.15 -178.24 51.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.1 p -82.45 -17.71 44.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.341 . . . . 0.0 111.126 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.43 -14.2 50.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 -170.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -91.22 135.09 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 111.072 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 t -96.87 116.22 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -104.73 121.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.116 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.2 m -122.54 137.41 54.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.161 -174.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -98.92 126.69 44.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 172.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.5 t -136.14 102.93 5.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 -175.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.98 -124.68 28.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.547 -171.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -95.31 -4.76 44.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -109.02 166.36 10.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -128.08 132.37 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.5 mt -118.22 126.07 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.17 114.23 27.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.984 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -111.09 118.98 37.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.9 ptp -121.17 145.64 42.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.579 0.704 . . . . 0.0 110.881 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.54 145.6 37.81 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.306 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -57.27 -35.06 69.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.21 -25.83 68.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -163.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -108.17 -14.88 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.1 m -101.37 -48.94 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -168.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -122.68 152.14 40.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 66.1 t0 -65.09 133.97 52.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.754 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.9 p -66.29 -20.9 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.9 m -85.44 -26.68 26.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.3 t -163.12 150.22 12.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -177.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' A' ' 90' ' ' ARG . . . -71.57 66.27 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.9 m -119.09 135.25 54.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 167.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.85 132.47 48.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -173.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 98.3 mttt -77.96 155.23 80.31 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.571 0.7 . . . . 0.0 110.793 170.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.85 -40.55 57.4 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 174.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.88 -33.1 74.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.73 -38.12 61.12 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.74 85.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 111.056 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.37 -43.03 98.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -62.74 -43.19 99.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 175.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.86 -33.35 75.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.7 m -64.75 -42.05 95.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.513 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -60.45 -41.61 98.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 173.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.0 t -62.03 -39.91 85.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.08 92.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.0 mmm -64.23 -24.9 67.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 55' ' ' GLY . 87.5 t -87.66 -46.3 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.176 -176.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.64 -35.48 80.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -57.06 -35.0 68.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -71.15 -25.26 62.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -122.79 83.95 49.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.679 0.752 . . . . 0.0 110.906 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.15 -10.03 27.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.408 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.73 5.19 49.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.6 p -119.98 156.19 31.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.38 158.24 26.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 68' ' ' VAL . 10.0 p -111.86 127.49 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -123.09 113.51 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.401 HG23 HG12 ' A' ' 136' ' ' ILE . 59.3 t -110.15 124.97 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -174.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.3 mt -123.42 125.82 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.99 139.47 14.55 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.516 174.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -151.84 150.46 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.962 -176.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.6 p -134.99 150.0 50.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 169.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.69 20.11 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -173.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.0 p -88.84 -59.91 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -173.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -163.69 -178.51 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 170.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.77 162.47 25.93 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.7 136.21 38.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -55.03 -47.26 74.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.44 -47.51 83.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 -175.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.89 -42.85 94.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.19 -46.49 86.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.422 ' HG3' ' HA ' ' A' ' 113' ' ' LEU . 51.6 ttm -54.96 -42.8 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 173.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.73 -44.17 91.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.59 -37.48 86.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 172.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 m -63.61 -39.9 95.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -64.99 -37.98 89.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.945 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.43 ' NE2' ' HB1' ' A' ' 43' ' ' ALA . 37.8 tt0 -63.85 -51.08 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.448 ' HB3' ' HB2' ' A' ' 43' ' ' ALA . 13.0 ptp180 -65.21 -31.16 72.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.516 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -61.58 -44.55 96.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.078 175.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.82 -35.62 81.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.6 m -64.22 -40.1 95.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.4 HG11 HG11 ' A' ' 70' ' ' VAL . 55.2 t -62.45 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 175.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.49 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.8 m -61.19 -46.03 92.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.7 89.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.061 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.96 -42.45 98.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.02 -41.3 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.0 m -63.14 -33.01 74.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -85.85 8.96 18.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.03 10.15 57.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 166.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.5 t -81.73 129.49 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.352 . . . . 0.0 111.186 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -54.37 123.35 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.02 -28.43 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.4 m -68.39 -25.02 64.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -91.89 -8.5 46.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.5 mt -95.13 129.27 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -177.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -127.64 130.01 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 166.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.516 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 80.3 p -128.03 140.72 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.226 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -139.95 150.0 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.06 134.99 8.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.422 ' HA ' ' HG3' ' A' ' 84' ' ' MET . 2.9 pp -142.86 158.06 43.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 178.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.98 -158.63 29.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.574 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.73 127.18 18.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.338 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.02 -65.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -132.29 115.89 15.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.22 154.99 37.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 83.7 mt -100.03 -50.06 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.43 168.25 14.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.6 t -66.67 133.59 50.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -174.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -75.45 -3.67 35.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.9 p -74.89 -9.54 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.05 0.452 . . . . 0.0 110.918 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.5 p -119.51 153.87 34.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.89 85.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.54 -43.13 86.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.82 -39.2 97.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -61.01 -44.22 97.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 0.0 110.953 177.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.32 98.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -68.09 -21.98 64.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 -175.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -82.14 -4.3 56.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -174.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -97.79 99.4 10.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -135.02 154.79 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -169.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.9 t -125.43 135.01 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 169.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -117.08 129.87 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -171.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.401 HG12 HG23 ' A' ' 70' ' ' VAL . 74.5 mt -114.77 120.48 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 173.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -111.79 119.22 37.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.8 tt -113.43 116.0 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.8 p -151.42 154.18 33.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 0.0 110.782 -169.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.99 133.55 52.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.282 177.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 46.3 tp -73.76 90.25 1.85 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 78.8 mt -121.83 -4.27 9.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -156.44 168.33 27.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -176.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -155.35 137.76 14.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -145.94 -180.0 7.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -155.11 121.16 5.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -165.06 114.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 175.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -123.53 -8.69 8.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -177.423 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 38.9 p90 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -63.69 -32.35 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.4 mmm -72.52 -31.82 65.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.35 -30.78 68.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.872 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.14 -46.5 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.54 -38.54 89.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 175.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.45 -44.55 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.42 93.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.12 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.17 -37.83 88.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.997 -178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -64.22 -39.49 94.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.09 -40.22 94.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.17 -24.22 65.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.5 mtm -94.99 4.13 54.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.858 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -77.36 89.98 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.91 -178.46 50.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.9 p -87.27 -15.02 39.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.345 . . . . 0.0 111.12 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.3 -13.41 48.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.532 -171.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.3 t -91.99 135.07 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 t -97.87 126.36 43.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -106.26 121.98 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.2 m -119.94 134.76 55.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -103.32 128.15 50.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.7 t -137.31 102.07 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.97 -122.78 24.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.545 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -97.34 -10.0 26.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -98.99 168.03 10.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -172.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.4 mt -120.0 129.89 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.223 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.1 mt -117.12 120.21 64.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 57.5 mt -108.91 126.19 52.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -106.95 112.77 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.1 mtp -112.48 134.23 21.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.499 0.666 . . . . 0.0 110.897 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.83 145.24 31.88 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -51.8 -34.73 41.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.819 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.71 -25.35 68.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -165.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 m -109.25 -16.63 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -169.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.0 p -90.2 -59.64 2.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 -174.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -132.38 162.26 31.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -88.79 147.53 24.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.806 -174.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.6 p -64.0 -23.49 67.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.4 p -89.56 -28.04 19.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.794 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 t -160.52 141.59 12.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.21 66.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.3 m -113.44 127.66 56.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.125 168.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.26 133.13 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -169.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.24 156.27 63.16 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -51.32 -41.54 58.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.405 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.0 -36.2 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.28 -37.79 59.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.52 87.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.09 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.71 -43.71 95.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.804 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.0 m -65.93 -43.42 88.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.4 mt -66.67 -29.81 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.5 m -64.33 -40.75 96.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 170.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.519 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -60.62 -38.3 94.81 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.424 172.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.65 -42.53 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 111.095 172.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.28 89.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.3 mmm -61.9 -24.95 67.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 55' ' ' GLY . 96.4 t -89.15 -45.1 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.192 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.77 -35.77 82.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.84 -35.55 74.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -75.09 -32.22 61.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -122.02 80.33 42.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.73 0.776 . . . . 0.0 110.899 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.63 -4.78 15.3 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.392 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -91.02 7.82 38.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.2 p -120.54 150.68 40.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.94 156.09 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.132 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.46 130.42 68.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 109' ' ' ARG . 53.6 t-20 -119.89 119.97 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 172.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -111.55 123.58 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.069 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.479 HG12 ' HB2' ' A' ' 111' ' ' GLN . 71.9 mt -120.3 124.25 72.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.64 140.58 15.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.495 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -159.77 164.1 34.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.933 0.397 . . . . 0.0 110.916 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.5 p -130.99 153.31 49.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.054 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 118' ' ' PRO . 0.6 OUTLIER -137.98 24.04 2.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -173.801 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 99.3 p -91.13 -60.35 1.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -162.31 -178.31 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.181 170.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.22 159.85 23.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.405 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.85 137.47 41.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.514 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -54.57 -49.06 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.871 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.54 -46.91 80.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.97 -38.21 87.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -64.5 -45.61 86.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.7 ttm -53.89 -39.16 65.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.801 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.07 -46.41 81.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.96 -40.11 92.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 171.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.4 m -62.05 -37.54 85.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -61.56 -40.94 96.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.42 -46.74 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -67.32 -32.92 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.584 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -62.94 -43.13 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 173.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.94 -34.95 79.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 177.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -64.63 -38.34 90.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.34 -47.49 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.186 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.9 93.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.02 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m -60.87 -43.96 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.899 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -64.16 -46.75 82.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.64 -42.78 97.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.7 -41.29 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.5 m -64.08 -31.54 72.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 99.2 mm-40 -84.31 3.89 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -178.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.24 9.69 55.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 169.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.3 t -81.39 129.93 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 111.131 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -54.61 122.47 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.27 -32.27 68.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -70.64 -17.86 62.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -95.0 -7.39 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 80.6 mt -97.51 128.43 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 91.5 mmt-85 -128.62 131.03 48.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 167.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.584 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 81.2 p -126.88 141.88 51.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.479 ' HB2' HG12 ' A' ' 71' ' ' ILE . 49.2 mt-30 -137.41 144.96 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.25 131.65 9.86 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.414 172.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.0 mt -130.26 155.01 46.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.908 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.86 -165.28 13.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 166.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -49.96 128.32 21.68 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.78 -70.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -127.36 105.53 21.62 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.706 0.765 . . . . 0.0 110.889 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.508 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 93.2 Cg_endo -78.45 165.8 24.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 177.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.4 mt -98.84 -49.93 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.621 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -131.98 169.24 16.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -175.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.448 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 35.0 t -64.98 137.72 57.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 -175.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -74.61 -3.45 31.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p -75.13 -8.01 55.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.7 p -119.64 153.78 35.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 174.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.12 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.66 -39.75 91.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.621 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -63.0 -41.68 99.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.48 -44.17 93.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.46 93.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -72.68 -30.52 64.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -172.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -72.41 -9.51 58.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -169.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -89.44 108.0 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 172.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -144.16 143.79 31.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -160.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 86.3 t -123.39 137.05 57.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 171.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -115.64 131.15 57.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.469 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 85.7 mt -114.86 120.68 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.0 m -113.92 119.72 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.8 tt -115.66 116.8 28.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.6 p -150.24 155.13 37.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 -170.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.4 136.52 56.04 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.645 2.23 . . . . 0.0 112.295 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 51.4 tp -70.38 91.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 80.5 mt -118.66 -8.73 10.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -155.04 170.2 22.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -144.77 126.1 14.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.757 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -156.67 153.28 28.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -165.04 114.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.815 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -156.67 138.64 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -109.96 -59.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.863 -175.578 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.885 0.374 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -65.78 -24.92 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.3 mmm -69.18 -34.78 75.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 176.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -69.98 -29.96 67.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.8 t -75.67 -46.86 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.43 -39.46 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.88 -41.65 96.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.37 95.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.6 -40.57 97.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.05 -36.4 84.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.997 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.71 -41.79 95.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.3 -39.75 92.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.37 -22.91 64.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.5 mtm -95.15 4.27 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.888 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -78.76 89.95 4.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 172.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.69 -177.73 51.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.485 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 p -87.03 -14.92 40.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.331 . . . . 0.0 111.131 176.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.07 -11.41 57.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -172.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.7 t -86.66 133.9 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 111.076 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 t -92.85 126.7 38.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.68 121.49 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.8 m -120.07 135.61 54.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -105.57 128.02 53.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 171.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -136.58 103.94 5.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.28 -122.71 24.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -171.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -96.59 -13.12 23.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 110.895 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -96.15 167.41 11.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -172.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.1 mt -124.02 131.79 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.04 122.24 69.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.3 mt -109.93 130.46 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -116.11 112.85 22.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 175.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 60.9 mtm -106.9 135.97 19.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.534 0.683 . . . . 0.0 110.849 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.67 141.93 38.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -55.94 -33.76 65.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -57.84 -26.43 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -164.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 m -115.61 -9.76 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -174.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -108.01 -56.68 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -175.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -133.44 -177.14 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -170.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -133.08 126.55 32.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 172.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.0 m -57.38 -26.7 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.8 m -73.58 -35.29 65.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -153.83 128.78 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 176.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 90' ' ' ARG . . . -74.21 69.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.6 m -111.85 125.14 53.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 169.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.88 132.39 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -85.54 155.4 59.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.538 0.685 . . . . 0.0 110.84 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.52 -41.3 68.81 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.687 2.258 . . . . 0.0 112.414 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.05 -33.69 74.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.16 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.54 -38.31 57.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.547 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.44 84.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.319 . . . . 0.0 111.055 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.54 -43.73 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.1 m -65.44 -41.66 93.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.36 -32.54 74.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -64.63 -40.29 95.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.57 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -60.53 -39.99 97.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.436 172.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.82 -41.31 92.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.693 0.282 . . . . 0.0 111.041 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.44 85.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.048 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.5 mtp -63.45 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.57 HG21 ' O ' ' A' ' 55' ' ' GLY . 90.0 t -88.43 -47.4 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.158 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.95 -39.3 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -63.48 -30.51 71.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -75.93 -27.07 57.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -120.0 81.06 27.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.698 0.761 . . . . 0.0 110.881 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.68 -9.16 25.22 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.716 2.277 . . . . 0.0 112.395 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.1 4.08 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 177.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.6 p -121.88 159.56 26.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.17 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.71 150.31 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.6 t -110.63 124.31 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 109' ' ' ARG . 55.7 t-20 -114.81 117.91 32.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 173.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.1 t -106.06 121.73 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.423 HG12 ' HB2' ' A' ' 111' ' ' GLN . 82.1 mt -118.96 120.79 65.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -176.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.3 135.16 12.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.481 172.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -149.67 163.14 38.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.045 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.6 t -151.49 141.18 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.126 166.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -119.81 8.7 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.7 p -87.18 -61.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 110.883 -167.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -161.37 -175.18 4.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.178 172.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.75 157.65 22.38 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 173.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.05 132.7 33.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.504 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -55.01 -45.59 75.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.68 -48.81 79.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.39 -40.2 95.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.81 -43.1 94.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -177.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 68.1 mtm -53.99 -43.08 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 171.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.79 -46.77 74.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.964 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.42 -41.06 93.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 173.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.2 m -63.01 -39.94 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -65.68 -40.03 91.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.924 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.33 -47.83 77.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.594 ' HB3' ' HB2' ' A' ' 43' ' ' ALA . 18.2 ptp180 -65.31 -32.5 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.654 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -60.64 -42.9 97.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 176.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.28 -37.89 89.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.6 m -65.02 -39.98 94.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.14 -46.57 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.95 92.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -61.02 -44.17 97.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.2 87.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.098 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.67 -42.21 98.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.11 -40.66 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 176.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.4 m -63.11 -32.81 74.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 176.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -84.75 6.23 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.28 10.55 51.02 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 168.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.23 131.38 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 111.172 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.41 126.1 26.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 175.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -27.27 65.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.8 p -69.78 -21.61 63.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -92.53 -9.76 40.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.4 mt -94.68 128.14 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 91.2 mmt-85 -128.38 132.44 48.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 168.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.654 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 73.1 p -129.57 142.21 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.423 ' HB2' HG12 ' A' ' 71' ' ' ILE . 54.5 mt-30 -137.25 148.08 46.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -118.03 128.21 7.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 173.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 89.1 mt -133.2 156.8 46.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.12 -159.49 32.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 168.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -53.5 131.89 45.96 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.668 2.245 . . . . 0.0 112.291 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.94 -67.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -131.43 108.92 14.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.692 0.758 . . . . 0.0 110.927 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.07 153.01 67.94 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.61 2.207 . . . . 0.0 112.398 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.1 mt -96.62 -46.92 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.98 171.86 10.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.8 t -67.44 134.83 52.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -75.08 -6.01 47.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 175.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.5 p -75.72 -9.26 58.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.3 p -119.43 152.42 36.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 174.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.76 -37.41 86.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.059 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.06 -41.27 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.76 -40.89 97.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -62.55 -40.53 97.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.992 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.4 98.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.7 -26.91 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -80.66 -8.6 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -91.84 79.96 5.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 170.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -136.8 158.93 43.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.82 154.54 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -116.61 132.06 56.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.2 mt -117.03 122.06 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 169.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.0 m -112.02 124.22 51.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 48.6 tp -112.94 120.52 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.0 p -154.38 152.74 26.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 110.774 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.36 134.18 50.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.635 2.223 . . . . 0.0 112.337 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 44.6 tp -72.83 90.1 1.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 75.8 mt -122.38 -1.16 9.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -176.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -158.0 169.76 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.791 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -153.16 137.53 16.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -145.3 179.92 7.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -165.02 115.05 1.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -164.87 117.36 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -126.71 -37.66 2.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 179.188 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.893 0.378 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -66.02 -24.2 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -177.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.1 mmm -68.03 -27.9 66.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.66 -28.52 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -87.91 -46.63 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 -177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.86 -41.49 95.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.979 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.74 -41.12 85.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.61 -39.58 93.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 175.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.41 -35.18 80.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.979 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -62.72 -41.24 99.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.45 -38.95 92.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 175.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.28 -25.32 65.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 78.5 mtm -102.61 -2.51 28.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.943 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -81.15 88.66 5.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 174.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.87 179.74 43.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.567 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.4 p -85.6 -10.55 55.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 0.0 111.201 174.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.63 -12.75 58.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.533 -173.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.8 t -84.21 132.79 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 111.094 177.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -97.56 123.16 41.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.56 123.13 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 -174.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.2 m -119.99 136.88 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -104.74 134.55 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 171.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -140.34 99.42 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.785 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.94 -123.28 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.526 -173.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -97.8 10.51 39.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -102.39 154.06 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.3 mt -117.73 124.26 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.8 mt -115.76 120.68 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.6 mt -103.3 121.9 43.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -104.09 109.99 22.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.6 mtt -119.82 138.83 27.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.431 0.634 . . . . 0.0 110.972 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.49 136.8 24.37 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 176.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -68.47 -24.02 64.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -61.71 -23.82 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.763 -170.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.0 m -112.38 -5.76 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.8 m -102.23 -48.75 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -174.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -115.79 151.24 35.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.475 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 66.8 t0 -71.61 133.97 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.858 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.1 p -70.68 -22.54 62.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.3 p -92.19 -6.58 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.0 t -174.44 143.1 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.412 ' HB2' ' HG3' ' A' ' 90' ' ' ARG . . . -69.47 60.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.04 173.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.4 m -116.58 138.83 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 162.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.33 135.48 56.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.475 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 97.0 mttt -73.67 152.89 89.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.67 . . . . 0.0 110.861 173.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.79 -40.3 74.91 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.347 175.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.74 -27.45 69.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.66 -37.53 30.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.77 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.063 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.14 -40.44 96.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.1 m -60.11 -45.46 92.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.16 -28.96 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.964 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 100.0 m -65.01 -39.95 94.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 172.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.572 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -61.61 -39.08 96.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 170.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.52 -40.07 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 111.036 172.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.01 76.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.059 174.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.4 mmm -64.42 -19.44 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 55' ' ' GLY . 95.1 t -93.79 -54.3 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -173.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.7 tp -68.29 -33.91 75.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -67.29 -39.77 86.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -77.67 -27.5 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -120.76 77.12 29.05 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.724 0.773 . . . . 0.0 110.937 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.85 -7.06 20.39 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -87.24 8.45 24.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.3 p -123.83 160.09 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.468 ' HB3' HD22 ' A' ' 141' ' ' LEU . . . -114.42 142.99 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 176.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.48 121.3 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -117.26 115.27 24.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.35 121.38 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -177.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 85.1 mt -122.68 124.12 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.87 136.43 13.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.56 178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -155.97 158.95 38.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.966 0.412 . . . . 0.0 110.953 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.6 p -133.46 153.91 51.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.105 175.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.514 ' HB2' ' HB3' ' A' ' 131' ' ' ASN . 1.4 m-20 -139.24 20.03 2.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -170.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -90.81 -61.66 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -171.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -159.8 179.51 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 169.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.79 159.17 25.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.398 176.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.84 130.36 45.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -52.78 -47.11 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.18 -49.21 76.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.9 -41.41 95.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.48 -52.12 62.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.4 ttp -46.07 -44.86 15.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.19 -45.51 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.4 mt -60.45 -38.09 83.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.407 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 67.8 m -64.78 -39.33 93.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -56.96 -41.03 77.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 174.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -67.09 -43.58 82.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 87.9 mtm180 -63.54 -37.62 88.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.567 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -63.44 -43.81 96.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 176.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.4 -36.67 83.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.1 m -64.86 -39.75 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.91 -48.4 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.104 176.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.55 -42.28 98.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.8 m -59.06 -46.69 87.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.44 87.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.108 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.42 -44.72 95.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.929 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.41 -41.65 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.6 m -62.96 -33.27 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.138 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -87.1 19.05 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.98 4.76 66.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 165.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.4 t -81.25 131.68 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 111.081 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -58.4 121.42 10.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.79 -29.65 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.3 p -71.35 -18.84 62.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -174.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -95.52 -8.12 36.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.5 mt -93.14 135.37 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -127.74 130.62 49.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.775 166.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.567 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 82.1 p -130.95 144.53 51.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -146.84 142.82 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.11 130.84 9.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.524 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.4 mt -128.77 155.55 44.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.45 -160.93 28.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 167.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -49.24 128.39 19.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.99 -69.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -131.63 109.69 14.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.644 0.735 . . . . 0.0 110.93 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.94 158.74 42.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.0 mt -95.54 -45.5 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.417 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -135.6 168.83 18.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -64.44 133.77 53.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -174.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -72.19 -3.75 25.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.921 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.4 p -75.01 -8.27 56.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.7 p -121.39 153.21 38.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.36 87.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.52 -42.08 87.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.417 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -63.47 -41.5 99.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.478 178.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -60.67 -44.64 96.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.891 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.68 96.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -68.21 -29.38 68.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.514 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 98.7 m-20 -71.21 -11.47 60.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -171.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -88.81 92.6 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -130.09 147.8 51.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -164.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.93 138.58 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -117.85 137.38 52.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -172.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 75.4 mt -114.79 121.3 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.9 m -110.59 123.9 50.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 -176.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.3 tp -110.98 121.56 45.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 176.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.5 t -143.57 130.76 10.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.85 -173.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.6 145.06 39.65 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.306 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 67' ' ' ALA . 79.2 mt -73.25 77.31 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 90.0 mt -96.69 -15.99 21.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -161.83 160.59 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -130.47 150.19 51.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -159.49 161.85 35.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -131.67 79.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -164.52 115.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -115.15 -36.57 4.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -177.785 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.1 t80 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.916 0.389 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -65.19 -29.95 70.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -172.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.1 mmm -69.24 -34.87 75.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.84 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.9 -30.99 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.0 -49.98 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.068 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.34 -44.27 96.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 173.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.74 -42.58 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.36 92.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.7 -40.61 97.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.59 -37.69 88.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -58.02 -43.71 86.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 177.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -67.46 -42.83 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 177.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.01 -30.54 71.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 79.3 mtm -95.01 0.65 54.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -119.31 80.15 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.46 59.97 4.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 p -136.41 -40.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.67 6.35 66.47 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.437 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.14 155.96 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.893 0.378 . . . . 0.0 111.06 -172.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.9 t -99.34 120.38 39.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.0 t -102.22 121.36 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.8 m -121.05 139.52 53.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -117.42 135.38 53.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -144.09 116.18 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.03 -123.58 31.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -172.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -100.17 -4.52 29.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.812 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -104.65 168.3 9.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.8 mp -122.73 132.6 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.3 mt -118.93 120.25 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.407 ' HG ' ' HG3' ' A' ' 32' ' ' MET . 54.0 tp -108.68 124.64 50.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -105.04 110.05 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.407 ' HG3' ' HG ' ' A' ' 30' ' ' LEU . 96.3 mtp -107.38 113.62 61.73 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.512 0.672 . . . . 0.0 110.92 -176.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.69 131.9 35.34 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.83 -38.62 91.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -65.21 -29.57 70.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -166.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -108.47 -4.67 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 -170.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.2 p -114.84 -30.44 6.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.13 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -124.06 155.48 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.484 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 8.5 t70 -64.86 145.88 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.7 p -70.47 -25.88 63.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -175.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -91.71 -20.19 21.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.8 t -160.84 149.65 16.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.785 -175.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' A' ' 90' ' ' ARG . . . -70.03 66.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.195 172.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.4 m -114.85 131.85 56.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 168.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.4 tp -64.07 131.74 48.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.946 -173.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 96.2 mttt -80.28 155.03 74.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.498 0.666 . . . . 0.0 110.947 171.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -52.16 -40.74 68.32 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 175.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.51 77.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.7 -36.94 67.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.426 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.86 82.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.822 0.344 . . . . 0.0 111.078 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.45 -42.3 96.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.3 m -64.24 -43.27 95.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -63.04 -31.71 72.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 178.398 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -65.15 -40.12 93.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.069 171.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.4 -44.68 96.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 172.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.8 t -56.98 -41.88 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.34 92.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 175.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.5 mmm -66.56 -29.55 69.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.45 -51.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 -174.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.502 HD11 HG23 ' A' ' 103' ' ' VAL . 4.1 pp -64.61 -24.34 67.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 177.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.36 -34.41 72.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.37 -23.3 65.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.486 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 70.8 m-85 -112.5 96.96 38.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.75 0.786 . . . . 0.0 110.959 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.486 ' HD2' ' HA ' ' A' ' 63' ' ' TYR . 27.4 Cg_endo -62.57 -31.49 79.84 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.256 . . . . 0.0 112.405 -177.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -102.64 87.22 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.993 171.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 t -149.39 160.44 43.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 139' ' ' SER . . . -118.85 146.7 44.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 175.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.9 t -109.59 123.81 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -119.98 114.42 22.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -113.4 119.24 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.9 mt -126.98 130.25 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -129.96 148.85 18.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.574 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -163.63 164.32 24.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.389 . . . . 0.0 110.959 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.9 t -169.41 155.14 6.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.441 ' HA ' ' HG3' ' A' ' 115' ' ' PRO . 35.2 t70 -113.31 -49.97 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 176.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 p -79.81 57.58 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.9 m -137.51 -49.03 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.197 174.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.27 -157.99 11.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 168.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.09 161.89 36.62 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.413 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -54.03 -50.24 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -175.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.78 -44.28 96.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.6 tp -64.47 -43.45 94.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -63.83 -47.27 81.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.9 ttp -61.99 -41.66 98.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.87 -44.3 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.63 -35.97 81.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.0 m -62.74 -43.13 99.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.42 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 72.8 tp60 -67.41 -37.19 82.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.857 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -66.35 -47.25 74.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.561 ' HB3' ' HB2' ' A' ' 43' ' ' ALA . 17.6 ptp180 -65.71 -35.43 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 177.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.482 ' HB2' ' HB ' ' A' ' 110' ' ' THR . . . -64.69 -41.56 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 173.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -65.91 -33.87 76.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.0 m -64.07 -37.92 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.5 t -60.89 -45.39 98.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.094 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.454 ' HB3' HG22 ' A' ' 110' ' ' THR . . . -60.85 -42.98 98.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.07 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.5 m -58.44 -44.52 89.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.79 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.88 -47.54 82.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.5 pt -70.92 -25.72 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.191 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.1 m -67.16 -36.18 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 169.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -90.01 12.76 16.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.76 10.49 55.26 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 165.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.502 HG23 HD11 ' A' ' 60' ' ' LEU . 89.1 t -83.01 127.99 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -56.91 122.91 13.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.41 -29.49 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -70.6 -15.31 62.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -174.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -94.15 -7.6 41.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.8 mt -101.21 135.75 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 -174.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -127.66 130.93 49.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 170.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 26.3 p -123.25 131.76 53.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -175.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -134.33 121.44 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.42 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -94.03 136.84 13.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 167.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.85 152.51 50.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.815 0.34 . . . . 0.0 110.924 175.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.51 -163.96 13.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.565 162.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.441 ' HG3' ' HA ' ' A' ' 75' ' ' ASP . 77.4 Cg_exo -49.27 124.49 11.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.31 177.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.03 -64.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -132.57 90.68 32.54 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.574 0.702 . . . . 0.0 110.931 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.72 143.39 47.43 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.8 mm -89.45 -45.38 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.51 166.97 23.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.5 t -66.01 136.19 55.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -171.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.11 -14.4 62.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.1 p -74.99 -10.8 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -169.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.5 p -121.92 151.68 40.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.04 83.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.072 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.83 -39.04 87.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.47 -38.15 95.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.31 -41.35 96.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 175.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.36 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.46 -25.86 64.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -63.98 -29.0 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.03 80.0 6.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.17 149.91 48.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.75 154.16 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -121.05 131.23 54.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 80.8 mt -117.07 121.42 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 172.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.6 m -112.87 126.85 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -175.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.3 mt -104.76 112.27 25.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.47 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 41.4 t -166.13 133.41 2.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.911 -175.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.03 135.98 46.29 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.1 mt -132.95 155.07 49.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.936 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 94.8 mt -108.01 90.07 3.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 175.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -167.12 165.01 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -155.74 155.38 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -136.96 -42.92 0.58 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 64.95 45.01 3.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -125.78 163.57 22.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 175.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -95.02 -55.03 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -178.841 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.4 t80 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.906 0.384 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -64.8 -29.02 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.6 mmm -68.96 -34.42 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.9 -29.52 62.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.806 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.32 -52.72 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -62.05 -45.61 92.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 173.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.37 -42.43 77.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.19 -40.8 96.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.56 -37.83 88.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -57.74 -43.81 85.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -67.4 -43.66 80.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.45 -31.13 71.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 79.8 mtm -96.4 1.34 51.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.791 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -108.11 81.13 1.45 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.95 52.7 4.18 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 -171.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 p -137.3 -40.17 0.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.081 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.23 6.22 74.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.445 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.2 m -132.05 153.03 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 -171.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.8 m -101.13 126.24 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.2 t -103.16 122.05 55.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.0 m -121.2 140.5 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -117.14 133.6 55.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -140.82 110.06 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.26 -124.98 28.75 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.538 -170.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -98.37 1.87 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 173.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -100.63 160.03 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.97 127.95 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.1 mt -116.81 120.12 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.5 tp -106.75 125.32 50.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.983 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -104.83 108.61 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.0 mtp -109.76 112.64 58.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.943 -175.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.2 132.73 35.08 Favored 'Trans proline' 0 N--CA 1.466 -0.116 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 172.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -66.3 -33.12 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -66.8 -24.98 66.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.5 t -107.05 -17.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.183 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.8 m -99.25 -42.32 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.119 -176.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -114.31 157.5 22.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -61.64 146.48 48.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.0 p -68.48 -26.43 65.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.2 p -91.74 -17.1 25.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -175.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 t -161.7 142.33 10.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.796 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.06 61.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.163 170.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.0 m -113.36 133.32 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 166.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 tp -58.75 131.28 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.792 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 10.2 mmpt? -87.77 156.75 52.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.886 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -51.8 -41.66 61.37 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.633 2.222 . . . . 0.0 112.336 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.22 -34.96 75.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.72 -37.52 57.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.33 90.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 111.163 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -65.73 -43.03 90.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.8 m -65.33 -44.17 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 176.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.04 -30.19 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.862 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.3 m -65.23 -38.48 90.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.164 170.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.61 -41.38 97.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.01 -41.11 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.349 . . . . 0.0 111.151 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.26 85.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.2 mmm -64.73 -21.9 66.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.15 -43.11 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.78 -28.89 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.64 -38.63 87.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.95 -32.36 63.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.941 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -120.26 78.24 26.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.764 . . . . 0.0 110.831 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.36 -23.69 75.31 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.764 2.309 . . . . 0.0 112.349 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.89 61.26 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.0 m -138.21 138.8 38.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 139' ' ' SER . . . -101.52 141.14 34.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 174.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.0 t -108.81 126.24 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.071 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -119.62 113.97 21.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.44 120.86 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -176.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.6 mt -124.29 123.13 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.067 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.31 141.47 16.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 172.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -149.94 150.24 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.955 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 t -171.16 155.48 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.187 173.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -114.61 -49.9 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.769 171.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.0 p -80.23 60.92 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.0 m -131.6 -53.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 172.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.571 ' HA3' HD21 ' A' ' 82' ' ' LEU . . . -165.45 -157.43 9.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.537 170.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.08 166.51 13.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.56 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -56.75 -50.61 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.24 -41.78 93.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.571 HD21 ' HA3' ' A' ' 78' ' ' GLY . 58.4 tp -65.6 -38.49 89.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 177.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -61.64 -41.1 97.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -72.01 -42.45 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.76 -45.43 78.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.56 -41.65 98.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 m -63.36 -38.97 93.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -62.67 -40.01 95.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.857 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.72 -40.14 84.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -61.55 -47.18 86.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.24 95.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.13 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -69.39 -32.08 70.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.9 m -64.36 -39.15 93.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 175.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.36 -45.73 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.048 172.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.44 ' HB3' HG22 ' A' ' 110' ' ' THR . . . -61.82 -42.82 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.4 m -58.23 -43.95 87.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.22 96.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.093 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.14 -47.33 83.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.8 pt -71.47 -26.01 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.2 m -67.28 -36.84 82.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -90.13 13.19 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -177.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.23 10.24 49.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 163.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.9 t -83.76 126.02 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.165 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -55.78 124.99 19.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.65 -29.53 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.8 p -70.9 -14.05 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -91.8 -5.24 53.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.0 mt -110.22 138.02 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 -172.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -127.91 134.11 49.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.979 170.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.44 HG22 ' HB3' ' A' ' 95' ' ' ALA . 80.7 p -125.29 147.02 49.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 -175.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -147.3 129.96 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 172.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -92.81 132.51 11.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.424 166.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.76 150.66 50.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.93 -154.28 10.56 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 162.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.86 123.31 12.1 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.03 -65.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -129.69 101.88 18.36 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.57 0.7 . . . . 0.0 110.972 171.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -55.42 141.33 82.31 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.66 -49.15 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.83 165.62 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.438 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 40.8 t -66.59 135.03 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -169.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.01 -15.73 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 174.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.2 p -75.75 -9.65 58.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.9 p -122.41 152.38 40.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.69 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.83 -38.61 86.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.77 -38.21 95.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.556 176.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 131' ' ' ASN . 97.6 mttt -61.85 -40.61 95.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.743 0.306 . . . . 0.0 110.901 175.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.33 94.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.75 -26.62 64.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 128' ' ' LYS . 18.8 t-20 -61.98 -30.43 70.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 177.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -88.91 83.15 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -134.63 142.06 46.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -172.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 80.7 t -122.14 136.15 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 170.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -116.57 134.89 54.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -173.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.1 mt -116.68 122.37 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.084 176.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -110.18 124.81 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.9 mp -103.68 113.66 27.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.632 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 44.3 t -161.21 124.43 1.87 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.726 . . . . 0.0 110.959 -177.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 65.4 Cg_exo -54.68 134.49 62.73 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.266 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 93.9 mt -132.12 151.51 51.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 96.4 mt -113.08 88.28 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -165.76 160.02 16.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -137.94 150.19 46.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -135.01 -44.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 176.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 64.07 43.98 4.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -124.9 165.0 18.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -94.97 -55.03 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 178.867 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.6 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.853 0.359 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.0 t -98.18 120.83 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG22 ' HG ' ' A' ' 30' ' ' LEU . 64.9 t -106.55 115.91 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.6 p -125.07 153.87 42.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -173.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -116.7 136.12 53.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -134.94 105.64 6.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.78 -121.86 12.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -170.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -105.49 5.65 31.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.825 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -110.76 166.0 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 82.3 mt -123.9 132.15 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.9 mt -118.68 124.22 72.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.468 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 9.5 mp -105.52 128.07 53.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -111.96 113.1 25.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.1 ptm -132.06 139.03 33.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.524 0.678 . . . . 0.0 110.877 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.28 140.02 17.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.312 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -74.86 -39.21 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -63.77 -28.25 69.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -170.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.98 -23.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 -19.51 12.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -167.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.77 158.56 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 39.0 t0 -61.73 152.05 32.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.4 p -75.14 -24.81 58.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.2 p -92.97 -25.64 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -173.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -155.17 157.65 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.04 64.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 171.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.4 m -110.4 125.22 53.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 170.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -66.42 134.54 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -172.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 98.1 mttt -91.15 160.12 38.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 170.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.27 -40.77 69.22 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.62 2.214 . . . . 0.0 112.343 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.99 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.25 -36.42 70.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.95 82.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.22 -43.42 91.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.6 m -64.21 -44.78 90.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.01 -32.47 74.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.6 m -65.39 -39.75 92.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 173.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.98 96.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.99 -41.65 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 111.119 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -59.81 -38.31 81.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 178.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.18 -24.53 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.79 -48.13 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 -173.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.449 HD23 HG11 ' A' ' 103' ' ' VAL . 36.9 tp -67.19 -35.03 78.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.06 -37.53 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -81.53 -20.63 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -113.83 82.34 6.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.81 -16.08 37.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.7 5.1 44.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -122.83 155.17 37.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.198 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.2 149.16 46.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.2 t -109.29 126.62 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -116.19 118.74 33.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.03 123.45 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.4 mt -127.44 125.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.469 ' HA3' HG12 ' A' ' 134' ' ' VAL . . . -124.05 157.82 18.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -149.99 146.2 26.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 0.0 110.897 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 169.9 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.12 -50.96 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -169.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.22 -43.3 96.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.1 tp -64.52 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.59 -38.65 90.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -59.2 -40.16 84.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.27 -44.33 79.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.49 -42.35 98.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.3 m -64.67 -40.31 95.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.457 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 67.1 tp60 -67.07 -36.0 81.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -65.04 -39.47 93.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -61.78 -40.09 93.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 172.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.561 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.23 -43.56 98.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -64.47 -37.48 87.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m -64.33 -39.89 94.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.31 -47.78 90.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.143 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.07 99.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -61.08 -44.67 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.21 -46.39 89.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 57' ' ' ALA . 95.7 mt -62.2 -44.96 95.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.7 -39.25 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.0 m -61.49 -33.0 73.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -86.05 7.93 22.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.5 9.7 56.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.449 HG11 HD23 ' A' ' 60' ' ' LEU . 85.0 t -80.62 129.25 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.152 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -58.52 126.56 28.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.55 -24.54 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.0 m -63.28 -24.37 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -100.64 -0.21 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -173.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.2 mt -101.97 124.62 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -126.07 121.88 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 175.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.561 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 66.0 p -131.35 146.79 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -141.87 135.75 29.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.457 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -95.11 115.0 5.0 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 174.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.6 tp -123.05 144.82 49.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 -177.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.54 -165.99 29.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.03 135.18 42.77 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -144.96 -45.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -144.81 73.22 15.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.534 0.683 . . . . 0.0 110.833 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.55 129.57 34.48 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.401 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 89.3 mt -55.95 -42.46 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.04 170.52 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.4 t -72.84 136.96 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -74.86 -2.01 24.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.7 p -76.75 -9.58 58.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.8 p -120.65 152.72 37.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.108 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.32 90.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.05 -40.74 87.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.846 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.55 96.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.479 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.96 -42.09 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.04 86.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.17 -33.22 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -77.99 -30.39 50.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -175.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.46 63.33 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -141.67 158.47 43.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.469 HG12 ' HA3' ' A' ' 72' ' ' GLY . 24.7 m -125.19 156.33 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -116.8 130.19 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.468 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 89.3 mt -113.23 120.83 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.6 m -107.92 121.71 45.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 47.0 tp -114.9 120.81 41.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.7 p -149.88 149.03 26.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.685 0.755 . . . . 0.0 110.88 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.98 127.44 26.35 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.625 2.217 . . . . 0.0 112.3 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 50.6 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -176.07 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.843 0.354 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -94.37 122.86 37.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.411 HG22 ' HG ' ' A' ' 30' ' ' LEU . 62.2 t -106.75 117.16 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -123.7 150.74 43.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.74 137.8 51.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -142.25 109.76 5.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.67 -124.04 30.21 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -105.01 18.53 22.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.942 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -125.63 165.57 18.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.2 mt -126.73 133.2 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.9 mt -119.57 124.79 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.411 ' HG ' HG22 ' A' ' 21' ' ' VAL . 10.6 mp -103.24 126.52 50.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.942 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -110.4 112.37 24.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 27.6 ptm -131.56 139.46 35.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.508 0.67 . . . . 0.0 110.918 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HA ' ' HG2' ' A' ' 133' ' ' ARG . 44.0 Cg_endo -72.27 134.14 22.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.736 2.291 . . . . 0.0 112.394 -174.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -72.85 -40.01 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -64.17 -32.44 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -173.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -82.02 -28.61 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.2 p -109.05 -15.67 14.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -166.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -114.88 159.84 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.65 145.1 55.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.7 p -71.26 -25.97 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -90.72 -23.03 20.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -157.5 155.92 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.457 ' HB1' ' HG3' ' A' ' 90' ' ' ARG . . . -68.92 65.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 170.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.3 m -114.28 128.63 56.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.11 134.93 52.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -176.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -87.37 157.76 52.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.71 . . . . 0.0 110.908 171.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.3 -40.09 78.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.272 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.41 81.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.42 67.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.532 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.08 -34.99 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.65 0.262 . . . . 0.0 111.048 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.74 -43.59 92.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.4 m -64.45 -43.57 93.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.412 HD22 HG13 ' A' ' 94' ' ' VAL . 89.2 mt -64.84 -32.63 74.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.1 m -64.76 -39.14 93.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 172.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.77 -42.0 96.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.4 -41.16 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 111.17 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.39 89.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.0 mmm -64.25 -26.36 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.0 t -88.93 -46.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD23 HG11 ' A' ' 103' ' ' VAL . 31.6 tp -64.71 -35.18 80.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.984 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.45 -36.65 84.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -68.27 -31.51 71.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -118.38 82.45 18.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.95 -9.12 25.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.07 11.08 19.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.7 p -125.17 155.11 40.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.31 155.76 36.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 p -109.75 129.57 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -118.64 124.1 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.48 125.33 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -174.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.4 mt -123.03 120.48 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -120.97 150.29 17.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.524 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -151.08 156.64 41.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 110.951 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.085 173.592 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -55.54 -50.75 69.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -173.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.33 -41.28 93.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.1 tp -64.97 -39.53 93.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.38 -45.3 91.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 68.3 ttp -65.34 -42.71 92.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.93 -43.24 79.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.0 -40.34 94.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -63.92 -39.29 93.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -67.74 -36.1 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -65.41 -41.59 93.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.457 ' HG3' ' HB1' ' A' ' 43' ' ' ALA . 99.9 mtt180 -65.04 -38.09 89.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 176.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.721 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.55 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 174.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.75 -36.66 84.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.0 m -64.82 -39.0 92.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.412 HG13 HD22 ' A' ' 53' ' ' LEU . 52.2 t -62.99 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 175.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.11 99.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.4 m -60.19 -44.12 95.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.88 91.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.078 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.77 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.2 -40.69 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.2 m -62.5 -33.61 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -87.79 11.16 16.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.42 9.54 55.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 164.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.432 HG11 HD23 ' A' ' 60' ' ' LEU . 97.9 t -82.11 129.63 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 111.154 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.16 129.37 41.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.37 -24.49 67.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.5 m -65.67 -21.83 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -94.37 -10.06 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.3 mt -101.37 125.8 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -174.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -129.73 126.64 38.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 167.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.721 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 68.6 p -127.06 143.03 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -138.08 134.58 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.829 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -117.16 132.5 10.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 170.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.4 tp -139.93 140.68 36.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.346 . . . . 0.0 110.903 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -69.8 -163.62 4.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.495 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.05 118.71 5.63 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.27 . . . . 0.0 112.302 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -136.43 -65.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -140.7 80.74 17.76 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.532 0.682 . . . . 0.0 110.798 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -67.0 139.84 52.55 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 -174.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.27 -42.64 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -125.29 169.02 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.477 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 39.3 t -72.73 136.65 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -74.98 -9.46 58.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 77.7 p -75.65 -10.04 59.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -172.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.5 p -120.54 152.52 37.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.2 86.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.023 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.29 -40.04 93.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.477 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.17 -39.28 96.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.8 -44.71 93.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 110.865 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.97 99.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -69.51 -26.56 64.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -79.14 -20.94 47.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -87.06 62.59 7.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.406 ' HG2' ' HA ' ' A' ' 33' ' ' PRO . 69.0 mtm180 -136.74 157.03 47.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -175.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.7 p -127.3 143.3 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 176.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -113.45 129.93 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 88.4 mt -117.11 117.62 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.3 m -113.03 122.26 47.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -173.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.93 123.29 48.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 91.1 p -144.68 149.12 42.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.83 -175.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 78.2 Cg_exo -54.33 127.88 27.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.6 2.2 . . . . 0.0 112.31 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 43.7 tp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -177.761 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.861 0.363 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.7 t -95.35 126.27 40.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.4 t -107.68 119.97 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.163 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -122.69 135.88 54.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.48 136.6 48.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -142.82 109.27 5.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.28 -127.01 34.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.498 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.5 p-10 -97.94 5.26 49.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.808 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -116.09 170.46 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.3 tt -141.32 134.97 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -121.26 128.31 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.75 128.24 54.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -101.72 110.13 22.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.7 mtt -110.07 119.05 48.29 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.871 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HG2' HG22 ' A' ' 36' ' ' VAL . 90.4 Cg_endo -72.7 128.62 13.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 171.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -59.65 -26.96 65.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.49 -26.48 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -167.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.406 HG22 ' HG2' ' A' ' 33' ' ' PRO . 27.8 m -114.7 -15.12 10.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.4 m -95.51 -53.04 3.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -114.47 172.76 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.98 145.79 51.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 168.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -65.18 -23.98 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.2 p -108.2 -31.16 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.1 m -129.13 152.63 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -169.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.64 57.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.1 m -111.56 126.85 55.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.14 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 50' ' ' ALA . 28.1 tp -69.55 132.87 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.964 -170.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -86.19 157.89 55.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 169.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.59 -44.32 48.31 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.727 2.285 . . . . 0.0 112.376 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.34 83.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.57 -35.19 80.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.443 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' HA ' HD21 ' A' ' 45' ' ' LEU . . . -64.41 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.166 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.41 -48.23 80.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.3 m -66.83 -46.1 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.52 -32.49 74.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.9 m -65.18 -41.74 94.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.39 -40.18 98.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 174.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.49 -43.33 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 111.171 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.52 75.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 82.8 mtp -62.15 -18.48 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -99.37 -42.56 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.424 HD21 HD22 ' A' ' 138' ' ' LEU . 93.2 mt -66.67 -37.37 84.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.02 -45.53 94.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -82.61 -22.4 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -173.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -106.33 95.12 10.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.676 0.75 . . . . 0.0 110.882 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -76.48 179.62 6.23 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 55.02 35.24 24.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.6 m -127.45 134.87 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -174.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -103.18 138.27 40.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.421 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 60.2 t -109.23 126.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 176.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -118.55 114.95 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -108.27 118.64 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 92.0 mt -130.19 125.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.42 150.99 17.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.543 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 29.6 p90 -139.45 141.0 37.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 0.0 110.889 -179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.059 176.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -54.1 -46.8 72.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 -173.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.13 -45.46 94.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 55.6 tp -67.33 -37.22 82.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -63.99 -41.2 97.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -60.07 -39.12 84.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 173.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.61 -45.88 74.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.68 -41.6 99.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -62.33 -40.48 96.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.448 ' HB2' ' HA3' ' A' ' 112' ' ' GLY . 73.2 tp60 -61.66 -44.58 96.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.79 -46.8 70.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.965 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -68.09 -37.94 81.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.91 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 175.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.66 -32.54 73.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.856 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.6 m -66.86 -36.25 81.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.23 -47.26 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.06 97.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.2 m -60.36 -42.56 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.51 80.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.46 -42.64 99.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.958 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.441 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 91.0 mt -67.02 -39.9 84.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.6 m -60.01 -33.72 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -89.97 13.54 14.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.51 9.97 32.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 160.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 86.8 t -84.66 129.84 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 111.176 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -60.52 132.33 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.62 -28.76 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 79.0 p -69.16 -15.1 63.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -87.56 -13.99 41.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.913 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.421 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 83.6 mt -114.95 134.81 56.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 -173.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -133.77 129.19 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 170.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.8 p -122.97 149.46 44.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -173.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -139.87 142.54 36.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 172.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.448 ' HA3' ' HB2' ' A' ' 88' ' ' GLN . . . -92.2 114.93 4.68 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.553 172.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 82.3 mt -128.6 154.62 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.57 -165.03 27.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.48 173.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 75.0 Cg_exo -50.53 133.3 37.58 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.94 -65.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -129.72 79.61 73.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.692 0.758 . . . . 0.0 110.89 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.32 156.86 60.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 97.4 mt -88.22 -48.2 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -135.37 163.93 28.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 -178.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.736 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.7 t -65.29 140.06 58.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -175.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -75.82 -2.46 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 83.8 p -78.0 -8.57 58.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.8 p -118.7 156.43 29.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.195 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.74 95.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.37 -38.93 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.736 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -65.11 -39.23 96.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.526 176.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.03 -41.1 97.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.894 0.378 . . . . 0.0 110.927 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.51 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -71.45 -20.37 62.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.9 -35.47 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -90.17 89.91 7.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -140.09 149.81 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -175.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.12 130.47 73.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -118.9 133.11 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 5.1 mp -111.84 124.77 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 90.7 m -108.97 123.74 49.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 60' ' ' LEU . 36.5 mt -108.49 117.0 33.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -178.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 43.4 t -162.12 128.48 2.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.647 0.737 . . . . 0.0 110.951 -174.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.4 128.81 17.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 178.967 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.913 0.387 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.2 t -97.08 125.81 41.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -105.78 120.54 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.2 m -124.21 138.88 54.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -108.3 132.67 53.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 t -140.03 108.41 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.53 -124.95 30.39 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.46 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -93.95 -12.62 28.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -99.09 164.55 12.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.793 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.7 mt -128.75 131.17 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.114 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.68 123.48 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mp -107.43 127.34 53.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.91 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -101.4 110.49 22.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.9 mtt -111.22 124.38 32.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 -174.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -73.37 133.59 19.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 170.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -56.04 -31.45 63.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -58.22 -25.13 61.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -166.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -112.63 -14.98 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 -176.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.729 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 89.7 m -101.8 -54.17 2.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -123.08 -179.62 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -79.48 169.56 17.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 99.1 p -70.16 -27.62 64.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.4 p -125.86 -10.97 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.8 t -134.12 142.41 47.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 -170.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.543 ' HB3' ' HG3' ' A' ' 89' ' ' GLN . . . -79.15 60.76 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.088 171.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.4 m -105.5 118.59 36.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.2 174.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -64.73 132.38 49.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -169.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -95.0 160.21 31.44 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.593 0.711 . . . . 0.0 110.842 171.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -53.15 -48.74 20.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.328 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.729 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -69.26 -33.64 73.76 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 176.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.84 85.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -65.09 -44.22 89.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.4 p -71.75 -37.21 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -64.83 -33.78 76.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 174.379 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.1 m -65.42 -39.26 91.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 172.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.93 -42.07 98.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.04 -42.34 96.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 111.143 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.02 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.1 mtp -62.52 -21.99 65.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.3 t -93.28 -47.0 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.22 -40.13 86.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -67.19 -47.52 70.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -80.19 -25.2 39.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -172.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.04 87.41 28.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.671 0.748 . . . . 0.0 110.954 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.454 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 69.2 Cg_endo -70.16 177.15 6.15 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 94.6 mttt 70.18 19.07 6.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -177.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.1 p -123.87 148.35 46.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.66 139.13 50.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.97 132.17 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -113.12 122.9 48.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.12 116.85 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.0 mt -132.05 127.8 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.637 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -138.42 155.67 23.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -143.01 157.83 44.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.399 . . . . 0.0 110.902 -171.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.065 178.35 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.399 -0.28 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -58.59 -55.06 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.71 -43.51 88.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.28 -39.98 89.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -175.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -62.92 -43.65 98.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.4 mtp -64.39 -35.73 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.12 -42.14 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.9 -39.43 93.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -63.07 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -63.49 -43.05 98.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.543 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 62.6 tp60 -69.67 -43.14 73.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -64.32 -41.29 96.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -64.41 -42.1 96.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 175.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -69.77 -31.9 70.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.3 m -64.55 -36.32 83.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.95 -45.17 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.125 171.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.57 99.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.055 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -58.8 -42.36 88.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.97 -44.35 93.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.34 -41.96 99.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.58 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.5 m -61.98 -33.23 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.04 -0.5 51.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.17 10.55 36.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.7 t -83.13 128.05 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 111.158 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -64.4 133.38 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.13 -24.42 64.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.1 p -69.57 -17.95 63.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -92.02 -6.77 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.7 mt -112.95 133.69 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -175.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -132.97 131.78 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 168.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.574 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 73.3 p -127.71 145.16 50.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -139.86 131.56 27.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.07 87.83 1.57 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.8 mt -109.95 153.48 24.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -69.85 -178.91 23.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -55.11 133.84 60.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.24 -51.25 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -132.74 82.51 55.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.843 170.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -52.0 118.84 4.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.245 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.9 mt -55.59 -52.11 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -141.67 162.27 35.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 -176.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.728 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.4 t -67.45 138.38 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -78.83 0.91 25.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.4 p -76.65 -6.8 53.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.4 p -119.01 156.26 29.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 173.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.42 96.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.121 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -65.82 -40.99 92.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.728 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.99 -40.42 99.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.48 -41.02 84.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 177.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.9 -47.27 78.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -64.39 -27.25 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -176.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -77.35 -20.99 54.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -90.13 72.24 7.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -139.04 149.58 44.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -171.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.637 HG22 ' HA3' ' A' ' 72' ' ' GLY . 93.8 t -125.59 133.09 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 174.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -116.4 135.0 54.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -175.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 85.6 mt -115.68 122.74 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.5 m -114.53 123.5 49.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -173.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.68 128.2 53.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.5 t -148.78 119.86 4.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -174.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.52 131.13 40.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.371 171.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 176.909 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t -95.34 125.45 39.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.9 t -112.6 121.63 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.9 m -123.01 136.31 54.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -108.79 138.47 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -147.12 116.33 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.52 -126.34 41.87 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.524 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -99.5 10.8 40.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -122.09 171.7 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 tt -141.46 135.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.5 mt -119.95 126.97 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -104.94 124.2 49.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -104.13 116.05 31.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 74.9 mtm -122.68 132.81 24.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.691 . . . . 0.0 110.892 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.8 143.98 63.43 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.709 2.272 . . . . 0.0 112.394 173.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -51.42 -35.81 40.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.42 -25.59 67.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -166.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.32 -20.63 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 -170.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.2 m -103.08 -47.02 4.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -115.33 176.33 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.45 ' HB3' ' H ' ' A' ' 42' ' ' SER . 25.6 t0 -78.42 161.36 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.809 175.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.4 p -67.85 -25.63 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -176.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.0 p -128.29 -13.64 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 -175.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.45 ' H ' ' HB3' ' A' ' 39' ' ' ASP . 30.1 t -127.31 143.06 51.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -173.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.9 59.61 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 168.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.5 m -114.58 126.47 54.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 173.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.49 136.35 54.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -89.79 160.0 42.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 171.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -50.45 -44.0 41.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.751 2.3 . . . . 0.0 112.257 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.05 79.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.074 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.95 -37.96 60.3 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.421 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.25 83.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.55 -44.52 93.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.1 m -66.32 -40.18 89.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -62.84 -32.04 73.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 178.65 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.6 m -65.0 -40.22 94.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 172.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.97 -39.7 97.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.539 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.22 -42.28 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.18 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.51 -20.82 65.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.4 t -92.93 -48.61 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.6 -43.67 84.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.95 -47.26 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -80.61 -23.88 39.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -120.18 81.67 29.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.688 0.756 . . . . 0.0 110.879 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.464 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 41.3 Cg_endo -68.22 171.1 13.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.293 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 95.8 mttt 67.57 22.58 9.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -169.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 140' ' ' PRO . 90.5 m -120.7 134.3 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.13 137.53 42.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 -175.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -108.45 128.56 63.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -118.32 125.34 49.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -108.7 116.63 52.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.5 mt -130.29 128.63 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.509 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -142.74 157.94 26.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -141.35 146.64 36.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 0.0 110.88 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.063 172.124 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -54.95 -49.45 71.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 -173.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.85 -46.5 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -65.75 -43.21 89.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.877 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.1 ttm -57.63 -38.44 75.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.17 -43.35 82.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -60.84 -45.17 95.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.6 m -64.53 -35.95 82.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.92 -42.52 98.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 174.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -69.24 -41.32 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -61.57 -45.4 94.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.478 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -64.05 -42.79 96.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -69.99 -32.63 70.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.6 m -61.66 -41.54 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.42 -43.41 98.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.96 94.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -59.54 -42.44 92.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.21 92.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.81 -42.05 96.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.66 -41.11 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.04 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.5 m -63.31 -33.28 75.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -85.0 3.75 37.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.84 10.52 37.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 167.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -84.67 129.68 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.196 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -63.9 132.58 51.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.91 -23.54 65.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.5 p -72.06 -13.34 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -95.6 -5.23 43.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.2 mt -109.73 134.15 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 80.2 ttt-85 -134.99 122.12 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.957 171.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.478 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 73.7 p -122.09 148.08 45.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 -176.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.04 132.18 14.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.3 134.46 12.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.525 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 89.6 mt -130.95 146.9 52.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.954 0.407 . . . . 0.0 110.831 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.13 -166.27 28.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.473 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -58.98 135.83 69.3 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.97 -64.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -136.33 82.32 35.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.89 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -54.73 127.44 26.16 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.282 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.1 mt -55.15 -41.67 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.21 169.24 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.033 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.9 t -70.48 135.65 48.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -77.1 0.65 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.886 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.8 p -78.52 -7.31 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.9 p -119.07 153.74 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.2 94.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.107 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.39 -40.92 81.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.35 -39.86 98.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.89 -42.02 92.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.927 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.28 93.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -68.1 -28.36 67.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -75.03 -19.13 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.8 71.24 9.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -136.98 146.51 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.509 HG22 ' HA3' ' A' ' 72' ' ' GLY . 89.5 t -129.56 139.18 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 175.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -117.09 139.48 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -173.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.7 mt -114.56 126.56 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.9 m -109.72 124.78 51.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 81.8 mt -112.5 118.91 36.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.975 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.3 t -145.5 124.05 6.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.707 0.765 . . . . 0.0 110.89 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 72.6 Cg_endo -70.42 134.14 25.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.32 173.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 -176.444 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 52.3 m -99.67 121.44 41.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.847 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -111.55 120.45 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.1 m -121.35 135.79 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -118.67 138.55 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.2 t -147.41 110.98 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.88 -116.51 9.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.445 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -99.99 -13.9 18.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -96.72 169.99 9.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -172.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 tt -142.36 136.01 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -113.44 121.77 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.8 mt -108.14 115.61 30.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 39.6 t-20 -104.13 109.93 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.3 mmm -105.75 137.85 19.45 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.939 -175.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -70.37 131.78 21.06 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.733 2.288 . . . . 0.0 112.312 170.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.407 ' HB2' ' HB3' ' A' ' 132' ' ' ARG . 96.8 m-20 -66.17 -33.7 76.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -172.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -63.78 -23.51 67.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -164.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.7 m -108.74 -8.53 11.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.419 HG23 ' HA3' ' A' ' 49' ' ' GLY . 89.7 m -107.38 -46.86 3.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 -175.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.3 165.56 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -80.43 165.03 22.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.846 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.7 p -74.01 -26.51 60.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.0 p -99.88 -30.65 11.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.824 -172.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.5 p -152.76 161.15 42.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -176.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB3' ' HG2' ' A' ' 89' ' ' GLN . . . -74.58 70.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.163 174.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.7 m -109.09 124.96 51.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.82 132.98 48.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -170.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.46 160.02 33.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.879 170.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -50.67 -42.76 49.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.75 95.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.419 ' HA3' HG23 ' A' ' 37' ' ' THR . . . -70.23 -37.78 71.69 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.439 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.84 85.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.33 . . . . 0.0 111.174 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -63.89 -41.69 97.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 83.1 m -65.16 -44.68 87.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.438 HD22 HG13 ' A' ' 94' ' ' VAL . 58.3 mt -65.6 -29.08 69.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.3 m -62.95 -40.08 96.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.217 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.83 -42.1 99.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.01 -46.21 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 111.146 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.19 -35.29 80.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 62.1 tpp -62.51 -31.79 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.2 t -80.44 -46.68 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.8 mt -64.05 -41.82 97.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -68.71 -46.5 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.021 -173.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -82.75 -24.47 33.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.806 -173.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -119.81 82.04 26.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.76 0.791 . . . . 0.0 110.863 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 47.6 Cg_endo -69.5 -178.15 2.11 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 96.5 mttt 64.9 21.94 12.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -169.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.8 m -123.92 132.34 53.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.45 138.0 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -111.61 132.75 59.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -121.42 132.29 54.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -114.7 123.7 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.2 mt -129.34 122.54 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -121.89 155.62 16.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 171.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -140.97 157.54 45.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.072 178.418 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -55.86 -50.44 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -43.91 91.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.5 tp -65.79 -40.1 91.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.38 -39.11 93.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.73 -39.2 90.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.46 -39.76 85.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.15 -38.04 89.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 173.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.6 m -65.75 -35.78 81.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' CA ' ' HA3' ' A' ' 112' ' ' GLY . 72.9 tp60 -64.1 -42.39 96.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.498 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 44.0 tt0 -64.88 -44.02 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 174.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -62.26 -45.09 94.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -65.01 -41.4 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -68.42 -32.1 71.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.8 m -62.02 -40.71 96.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.438 HG13 HD22 ' A' ' 53' ' ' LEU . 55.2 t -65.56 -45.78 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.04 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.0 m -61.13 -42.78 99.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.6 -45.51 90.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 108' ' ' ILE . 0.6 OUTLIER -63.0 -41.49 99.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.572 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.99 -39.99 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 176.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.5 m -62.36 -32.61 73.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -81.9 -1.07 46.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.56 12.14 31.41 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 169.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.1 t -80.95 129.77 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.41 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 62.9 t0 -62.93 135.49 57.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.77 -24.98 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.7 p -68.38 -18.96 64.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.41 ' HE ' ' HB3' ' A' ' 104' ' ' ASP . 75.0 mtm180 -93.96 -7.36 43.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 98' ' ' LEU . 64.5 mt -117.86 125.03 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -139.42 112.06 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 173.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.483 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 63.6 p -128.37 149.13 50.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -172.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -139.92 145.53 38.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 88' ' ' GLN . . . -89.96 118.88 5.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.0 mt -120.1 148.71 43.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.17 -170.71 41.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -62.37 131.47 34.2 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.643 2.229 . . . . 0.0 112.387 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.0 -64.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -174.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -132.71 81.26 59.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.661 0.744 . . . . 0.0 110.923 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.26 145.29 53.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.281 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.47 -50.18 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.23 163.59 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -175.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.647 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.2 t -68.01 141.96 56.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -73.32 -7.67 52.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.881 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -76.06 -7.04 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.0 p -118.41 155.51 30.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.37 95.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.116 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.2 -38.05 84.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.647 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.8 -39.81 98.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 178.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.54 -41.34 89.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 176.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.67 93.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -70.37 -25.44 63.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -78.88 -21.46 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.407 ' HB3' ' HB2' ' A' ' 34' ' ' ASN . 98.1 mtt180 -86.29 61.98 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -128.27 144.6 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.9 139.93 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.138 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -113.88 128.43 56.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.4 mt -115.8 119.49 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.6 m -111.95 124.1 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.9 mp -110.59 126.52 54.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.5 t -145.21 124.7 6.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.97 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.14 128.7 16.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.283 174.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -175.17 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.86 0.362 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -93.09 127.77 38.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -106.6 120.05 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.3 m -121.77 136.18 54.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -110.75 139.46 46.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.1 t -147.4 116.39 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.8 -124.69 36.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -102.26 10.07 39.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -118.49 170.77 8.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 tt -141.77 135.24 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.6 mt -120.49 127.75 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.16 119.74 40.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -104.19 109.34 21.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.1 ptp -120.1 129.83 25.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.871 -174.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 133' ' ' ARG . 91.6 Cg_endo -74.4 143.84 31.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -56.17 -33.33 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.91 -28.37 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -166.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.31 -21.54 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -171.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 94.5 m -96.39 -52.07 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -115.68 169.52 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.86 144.84 56.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 169.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.3 p -65.11 -24.99 67.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -176.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.9 p -107.94 -20.5 13.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -173.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -138.31 145.01 40.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 -172.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 90' ' ' ARG . . . -72.01 57.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.069 168.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.5 m -112.43 125.2 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.73 132.48 46.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -169.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -92.05 159.71 37.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.866 172.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -51.91 -44.41 45.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.36 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.16 82.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.79 -35.95 73.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.67 85.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 111.199 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.35 -44.35 95.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.0 m -66.54 -42.93 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -64.67 -29.61 70.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.2 m -64.74 -38.23 90.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.37 -41.13 99.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.535 172.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.55 -43.29 98.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 111.156 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.11 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.014 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.5 tpp -58.78 -24.26 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 177.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -93.2 -48.29 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 -174.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.59 -37.23 71.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -67.93 -43.36 79.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 -175.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -81.06 -29.64 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -120.1 84.37 33.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.682 0.753 . . . . 0.0 110.892 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 58.3 Cg_endo -72.43 165.88 31.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.224 . . . . 0.0 112.316 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 89.1 mttt 71.8 32.94 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -174.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 140' ' ' PRO . 94.4 m -111.99 135.79 52.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.205 176.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB2' HD12 ' A' ' 141' ' ' LEU . . . -87.02 133.16 33.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 109' ' ' ARG . 67.4 t -115.85 124.94 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 -176.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -122.11 110.48 15.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.813 171.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.29 115.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.5 mt -131.04 122.13 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.1 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.579 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -120.07 161.27 14.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 171.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -146.05 150.31 35.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.89 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.078 177.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -60.16 -54.98 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.906 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.79 -41.34 95.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.6 tp -65.99 -40.0 90.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.67 -38.81 89.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.3 mmm -72.43 -39.58 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.78 -37.14 81.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.1 mt -66.2 -39.89 89.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -62.28 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.9 -44.07 86.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -70.05 -41.67 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.417 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 91.1 mtt-85 -64.53 -41.16 96.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.77 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -70.1 -31.47 69.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -64.8 -35.15 80.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.98 -46.41 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.76 99.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.2 m -59.55 -43.58 93.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.46 91.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.066 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.69 -40.84 96.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.93 -40.18 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.035 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -62.92 -33.03 74.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -82.12 -0.06 42.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.34 11.21 36.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 170.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.8 t -85.26 127.34 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -59.54 133.57 56.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.14 -25.91 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.091 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.0 p -71.28 -17.37 62.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -92.67 -4.97 52.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 51.5 mt -116.38 131.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.424 ' H ' ' HB ' ' A' ' 68' ' ' VAL . 53.0 mtm180 -133.02 140.93 47.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.827 172.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.473 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 59.9 p -134.62 152.78 52.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -176.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -139.72 126.31 20.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 170.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.04 85.54 1.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.544 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.5 mt -101.63 155.87 17.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.84 -173.31 45.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.18 137.16 54.89 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.658 2.238 . . . . 0.0 112.443 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -129.83 -58.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -132.33 78.6 67.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 172.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.66 144.03 76.77 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.15 -54.48 14.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.495 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -137.47 160.36 39.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -175.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.651 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.4 t -67.18 141.48 57.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.0 p30 -74.4 -1.56 21.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.961 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.3 p -76.7 -7.65 55.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.3 p -117.78 154.09 32.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 172.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.26 94.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.12 -41.57 90.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.651 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -61.42 -39.37 97.19 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.523 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.99 -42.5 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.26 -44.0 89.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.01 -22.76 66.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -80.94 -21.54 40.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.73 71.28 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.403 ' HD2' ' HA ' ' A' ' 33' ' ' PRO . 39.9 mmm-85 -130.32 144.98 51.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -171.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.579 HG22 ' HA3' ' A' ' 72' ' ' GLY . 92.5 t -127.91 134.77 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 170.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -119.72 134.36 55.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.8 mt -112.35 123.66 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.2 m -109.3 121.94 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.108 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 51.0 mt -115.55 121.1 41.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 43.7 t -143.24 118.95 6.47 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 56.3 Cg_endo -70.77 134.24 25.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.617 2.211 . . . . 0.0 112.268 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 67' ' ' ALA . 99.2 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.3 t . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.9 t -90.15 126.16 35.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -106.41 120.47 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.1 m -120.17 133.63 55.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -115.58 139.0 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -149.25 116.07 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.72 -123.26 32.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.498 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -102.09 9.51 40.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -119.36 170.97 8.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 tt -141.17 135.17 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.5 mt -115.59 124.95 72.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.7 mt -107.92 120.45 42.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -103.1 108.31 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.472 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 64.7 mtt -108.98 132.22 21.32 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 -170.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.482 ' HA ' ' HD3' ' A' ' 133' ' ' ARG . 34.0 Cg_exo -62.09 133.88 46.42 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.658 2.238 . . . . 0.0 112.395 174.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.46 -31.0 72.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 174.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.3 -23.94 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.403 HG22 ' HB2' ' A' ' 33' ' ' PRO . 23.2 m -114.25 -15.48 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.614 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 96.0 m -101.36 -50.56 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.059 -175.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -111.2 172.0 7.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' HB3' ' O ' ' A' ' 42' ' ' SER . 36.2 t0 -80.2 154.31 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 170.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.3 p -73.27 -24.38 60.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -106.43 -19.85 13.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -173.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 29.6 t -147.2 148.78 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -173.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.66 59.84 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 168.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.5 m -117.37 129.48 55.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.37 137.27 55.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -171.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.64 160.17 50.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.852 168.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -50.2 -46.07 30.41 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.614 2.209 . . . . 0.0 112.372 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.614 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -74.13 -38.44 47.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.434 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.97 84.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.204 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -66.02 -42.01 90.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -64.87 -44.18 90.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.229 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.406 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.1 mp -63.32 -34.56 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 176.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 83.4 m -65.54 -40.39 92.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 174.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.81 -41.51 96.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.82 -41.33 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 173.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.438 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -61.97 -37.24 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.6 mmt -64.36 -22.78 67.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.795 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.6 t -87.33 -44.04 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.89 -33.54 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -75.38 -40.99 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 -174.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -78.25 -30.73 48.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -123.03 77.78 51.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.684 0.754 . . . . 0.0 110.922 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 57.2 Cg_endo -73.12 -178.52 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.6 2.2 . . . . 0.0 112.313 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 88.8 mttt 72.33 34.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -176.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.6 m -126.19 138.36 53.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -93.77 136.68 33.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 -175.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.14 124.91 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.03 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -119.66 116.4 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 173.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.52 117.99 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.3 mt -131.66 125.67 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.423 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -111.48 151.5 17.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.559 173.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.446 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 46.4 p90 -136.47 141.74 43.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.02 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -58.43 -54.45 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.68 -42.66 95.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.6 tp -65.93 -37.8 86.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -62.2 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 99.3 mtp -63.19 -40.47 97.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.59 -43.28 85.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.64 -39.16 93.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.0 t -61.68 -40.53 95.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.446 ' HB2' ' HA3' ' A' ' 112' ' ' GLY . 71.7 tp60 -62.06 -44.66 96.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.909 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.78 -44.32 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -65.53 -39.39 91.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.6 98.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.64 -32.98 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.8 m -63.75 -36.96 85.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.66 -47.2 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.099 173.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.95 98.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.5 m -58.05 -42.7 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.99 80.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 57' ' ' ALA . 98.3 mt -62.38 -44.05 97.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.9 mt -65.01 -40.78 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 m -63.63 -34.49 77.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -82.62 -0.3 46.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.11 11.91 24.91 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 167.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.1 t -84.74 128.12 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.145 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -57.96 124.6 19.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.14 68.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.5 p -65.67 -18.2 65.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 -170.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -95.33 -5.66 42.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -177.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 79.4 mt -109.47 131.43 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -132.23 134.81 45.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.2 p -122.54 149.27 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -139.63 130.21 25.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.786 174.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.446 ' HA3' ' HB2' ' A' ' 88' ' ' GLN . . . -85.36 91.86 1.73 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.517 172.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 72.4 mt -106.82 156.24 18.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.63 -164.75 29.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.446 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 34.0 Cg_endo -61.87 136.37 61.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.405 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.98 -64.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -130.73 79.54 71.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.614 0.721 . . . . 0.0 110.853 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -66.86 140.65 56.08 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.27 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.449 ' HB ' ' HB3' ' A' ' 130' ' ' GLN . 97.3 mt -65.69 -46.77 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -178.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.472 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -137.17 160.81 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.755 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 31.4 t -65.96 141.26 58.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.802 -175.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -76.11 -1.55 26.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -76.48 -8.6 57.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.2 p -120.3 156.97 30.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.39 94.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.24 -38.12 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.755 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.91 -37.96 94.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.596 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.04 -40.17 96.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 175.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.21 90.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.449 ' HB3' ' HB ' ' A' ' 119' ' ' ILE . 99.6 mm-40 -71.17 -25.85 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -65.1 -34.59 78.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.04 80.45 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.482 ' HD3' ' HA ' ' A' ' 33' ' ' PRO . 90.3 mmt-85 -137.82 148.51 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -173.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.423 HG22 ' HA3' ' A' ' 72' ' ' GLY . 79.9 t -125.85 137.44 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -116.59 136.96 52.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -175.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.0 mt -112.0 124.68 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.1 m -108.94 123.8 49.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -175.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 58.5 mt -110.55 120.09 41.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 47.1 t -155.21 118.19 2.43 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.763 0.792 . . . . 0.0 110.888 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.81 122.6 9.26 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.623 2.216 . . . . 0.0 112.311 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.705 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG21 HG21 ' A' ' 52' ' ' THR . 81.0 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.009 0.433 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.8 t -92.71 126.07 37.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.8 t -107.87 120.38 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.6 m -123.29 135.28 54.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.21 139.46 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -144.54 109.24 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.54 -123.24 28.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.513 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -95.13 -5.15 44.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -109.66 168.57 9.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.0 tt -142.14 135.04 28.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.9 mt -119.71 127.84 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.5 mp -107.81 127.29 53.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -102.45 108.79 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.7 mtt -106.75 123.85 37.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.923 -171.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.422 ' HG2' HG22 ' A' ' 36' ' ' VAL . 84.4 Cg_endo -75.37 132.53 15.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 173.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.515 ' HB2' ' HB2' ' A' ' 38' ' ' PHE . 2.4 p-10 -59.64 -26.35 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 178.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.93 -27.76 65.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -168.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.422 HG22 ' HG2' ' A' ' 33' ' ' PRO . 33.9 m -119.94 -14.97 8.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.032 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.88 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 97.5 m -100.86 -52.2 3.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -175.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.515 ' HB2' ' HB2' ' A' ' 34' ' ' ASN . 77.6 m-85 -108.76 -178.5 3.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.657 ' HB3' ' O ' ' A' ' 42' ' ' SER . 39.9 t0 -77.58 161.83 27.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 167.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.2 p -74.18 -26.44 60.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.5 p -107.48 -26.05 11.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.799 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.657 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 96.0 p -144.01 159.89 41.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -170.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.564 ' HB3' ' HG2' ' A' ' 89' ' ' GLN . . . -75.99 61.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 169.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.1 m -108.75 119.38 39.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 170.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.45 136.97 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.62 160.35 39.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 168.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -51.58 -47.24 27.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.85 95.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.88 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -74.8 -38.13 42.96 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.419 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.04 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 111.114 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.87 -41.26 95.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.428 HG21 HG21 ' A' ' 19' ' ' VAL . 89.5 m -65.83 -42.48 90.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.225 175.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.74 -33.35 75.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.5 m -64.44 -39.88 94.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.219 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.4 97.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.492 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.09 -41.35 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.11 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.97 78.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.6 mtp -62.37 -20.6 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.2 t -94.82 -47.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.166 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.98 -38.97 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -63.12 -42.05 99.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.049 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -84.68 -28.24 26.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.772 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -109.21 92.36 11.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.699 0.762 . . . . 0.0 110.928 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.11 176.01 9.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.4 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 71.55 25.76 3.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 174.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.9 p -122.37 151.63 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 175.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -108.28 134.57 50.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.454 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 68.0 t -109.58 125.88 66.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 177.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -114.97 119.03 35.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -106.69 117.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.2 mt -132.62 128.45 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.83 152.61 17.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 172.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.444 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 44.8 p90 -137.56 142.9 41.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.908 0.385 . . . . 0.0 110.943 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.448 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -53.97 -51.18 64.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 110.993 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.31 -43.81 93.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.21 -35.54 78.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -66.08 -41.03 91.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 97.8 mtp -58.89 -39.4 81.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.32 -45.32 73.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.24 -42.25 99.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 174.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -61.19 -40.1 92.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -61.64 -42.38 98.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.564 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 40.0 tt0 -66.87 -48.51 68.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -66.46 -36.29 82.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.39 97.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.72 -32.66 73.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.8 m -63.09 -37.44 87.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.802 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.17 -48.87 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.184 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.08 97.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.048 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.1 m -58.26 -45.75 87.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.04 80.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.147 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.81 -40.55 95.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.17 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.3 m -62.22 -32.47 73.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.65 -0.68 48.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.34 9.9 30.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 169.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.88 127.79 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.136 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -60.95 131.4 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.06 -24.42 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.2 p -68.98 -14.26 62.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -90.3 -18.23 25.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.454 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 73.1 mt -122.53 134.56 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 -173.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -135.66 148.86 49.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 169.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.7 p -126.59 149.2 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -142.17 127.54 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 171.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.84 114.07 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 90.0 mt -126.18 155.45 41.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.38 -163.25 9.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.433 174.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 35.3 Cg_endo -62.99 137.4 62.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.8 -65.01 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -125.8 84.69 60.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -68.33 160.51 48.73 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.689 2.26 . . . . 0.0 112.311 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.0 mt -94.5 -45.28 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.616 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -142.09 163.53 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.594 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 37.8 t -63.31 137.32 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.771 -174.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -77.39 1.74 18.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.4 p -76.31 -7.28 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.9 p -118.56 156.58 28.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.253 173.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.69 92.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.12 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.52 -41.96 92.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.616 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.42 -44.18 97.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -60.36 -43.45 96.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.43 -48.83 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.6 -29.89 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -172.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -72.17 -18.15 61.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.4 ttp-105 -86.02 85.0 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 73' ' ' TYR . 90.3 mmt-85 -140.97 155.32 46.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -172.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.3 133.06 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 170.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -114.77 136.96 52.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.8 mp -113.36 124.74 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 87.3 m -107.73 123.33 48.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.094 -176.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.566 HD23 ' C ' ' A' ' 138' ' ' LEU . 6.5 tt -113.57 113.26 24.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 43.6 t -134.69 120.07 14.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 110.9 -173.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.96 122.84 9.46 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -176.94 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.5 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -92.32 128.39 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.3 t -104.86 121.4 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -121.5 137.07 54.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -108.67 133.78 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.6 t -143.07 109.23 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.39 -124.01 33.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.445 -176.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -99.46 7.57 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.822 0.344 . . . . 0.0 110.843 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -120.89 167.36 12.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.1 mt -127.45 133.65 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.8 mt -112.92 122.5 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.1 mt -106.66 116.05 31.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -102.3 108.68 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.8 ptp -122.85 128.84 25.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.953 -175.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.24 146.0 44.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.44 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -55.6 -29.19 58.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.834 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.81 -25.88 66.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 m -112.22 -19.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.2 m -108.74 -49.67 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -174.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.41 178.85 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.912 -174.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -67.78 167.61 13.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 166.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.7 p -62.52 -29.09 70.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -172.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.1 p -136.72 -11.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 -174.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -120.97 156.73 31.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 -162.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.04 51.29 2.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.5 m -112.81 125.08 53.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.81 140.46 53.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -84.64 158.41 59.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 165.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.42 -45.12 35.99 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.56 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.072 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.13 -38.36 59.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.96 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.204 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.39 -42.92 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.8 m -63.49 -45.15 92.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.0 mt -65.32 -29.64 70.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.5 m -64.77 -40.29 95.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 172.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.62 -39.73 96.94 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.98 -41.45 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.99 79.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.017 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.01 -21.99 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.6 t -92.27 -46.0 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.089 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.14 -40.6 94.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -66.26 -46.06 78.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.975 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -78.53 -25.67 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.76 85.64 28.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 73.8 Cg_endo -71.71 177.11 7.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 94.9 mttt 70.46 16.64 7.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.6 p -122.35 148.27 45.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.153 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.74 139.39 48.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.7 130.25 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 173.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -120.07 130.25 54.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.8 t -111.7 121.53 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.1 mt -128.34 121.8 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.42 151.72 16.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -144.15 149.6 36.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.938 0.399 . . . . 0.0 110.939 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 -174.382 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.56 -48.43 72.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 110.835 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.05 -47.84 75.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.0 tp -65.81 -40.25 91.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -66.98 -38.82 86.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.9 ttp -54.98 -39.02 68.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 170.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.57 -43.08 85.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.29 -39.15 89.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.0 t -60.84 -39.88 90.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.61 -42.39 95.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -68.3 -42.52 79.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.53 -37.5 87.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.42 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.23 -41.71 94.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.7 m -63.74 -41.4 98.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.86 -44.98 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.18 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.89 98.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -61.49 -43.79 98.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.08 90.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.1 -42.95 99.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.34 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m -62.94 -34.97 78.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -84.31 1.87 42.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.03 10.06 30.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 166.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.59 128.45 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.224 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.405 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 64.8 t0 -62.05 133.69 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.43 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.7 p -70.0 -19.22 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.405 ' HE ' ' HB3' ' A' ' 104' ' ' ASP . 76.5 mtm180 -90.91 -5.78 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.812 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 58.9 mt -106.97 125.18 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.178 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -135.24 114.65 12.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.1 p -128.91 146.78 50.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -136.86 145.53 44.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 171.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.38 102.16 1.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.3 tp -117.03 123.8 47.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.85 -167.61 23.65 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.35 129.38 33.74 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.669 2.246 . . . . 0.0 112.424 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.01 -48.87 2.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -134.63 96.73 14.8 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.69 0.757 . . . . 0.0 110.891 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -53.78 146.99 42.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.298 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.1 mm -86.89 -49.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.507 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -145.02 167.89 21.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.037 176.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.1 t -65.82 135.07 54.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -77.56 2.46 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.1 p -75.77 -6.95 53.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 175.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.7 p -118.64 152.86 35.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.152 172.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.16 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.6 -41.77 79.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.507 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -62.42 -38.98 97.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.509 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.6 -43.64 93.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.65 -45.54 75.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.29 -24.94 66.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.89 -20.26 63.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -90.21 80.09 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -136.77 151.49 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.3 t -127.45 138.2 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -118.48 130.24 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 81.5 mt -117.46 125.47 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.144 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 95.7 m -113.8 124.78 53.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -172.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 mp -107.37 122.85 47.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -144.34 121.0 6.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.711 0.767 . . . . 0.0 110.893 -171.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.92 132.64 50.88 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 171.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 176.764 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.897 0.38 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -86.24 123.34 31.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.812 178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -104.95 123.7 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 -171.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.5 m -120.66 138.16 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.22 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -99.91 127.58 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.895 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.0 t -136.17 101.62 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.86 -124.67 31.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -173.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -98.81 10.13 41.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 174.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -109.11 160.38 16.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.15 129.7 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -111.33 119.39 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.499 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 86.2 mt -108.14 125.61 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -178.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -108.05 112.27 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 175.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.8 ttp -121.55 121.55 28.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.478 0.656 . . . . 0.0 110.876 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 59.2 Cg_endo -71.26 135.91 27.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.385 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -69.32 -39.99 77.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.813 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -73.6 -20.58 60.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -169.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.409 ' HB ' ' HG2' ' A' ' 33' ' ' PRO . 97.7 t -88.28 -29.54 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 76.2 p -112.31 -19.08 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -172.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.48 159.03 25.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 172.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 68.0 t0 -62.14 129.67 41.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 176.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.9 p -63.47 -21.46 66.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.2 m -88.32 -39.1 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.3 p -146.93 159.79 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -173.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.2 63.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.1 m -113.69 126.88 55.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 166.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.58 134.79 56.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 95.2 mttt -82.64 155.23 68.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.958 171.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.53 -42.86 59.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.634 2.222 . . . . 0.0 112.375 174.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.76 76.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.63 81.56 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.25 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.095 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.32 -43.75 90.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.3 m -61.14 -46.5 90.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.54 -32.24 73.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.0 m -64.72 -40.05 94.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.22 -44.48 98.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.453 173.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.0 t -57.36 -40.33 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.083 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.54 99.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.073 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.7 mmm -64.67 -27.94 69.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.821 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.7 t -80.66 -43.52 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.17 -32.63 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.98 -36.43 75.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.3 -29.96 66.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -114.27 80.9 6.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.65 155.47 62.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 68.11 40.52 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.8 p -127.81 162.6 26.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -109.44 132.29 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.62 127.01 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -118.22 123.11 44.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.3 t -113.41 123.12 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.08 119.76 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.68 143.37 16.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.556 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -144.24 154.98 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.947 0.403 . . . . 0.0 110.897 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.18 -179.599 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -57.14 -53.15 61.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.818 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.5 -41.49 96.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.0 tp -64.42 -43.74 93.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.79 -44.16 96.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.408 ' SD ' ' HA ' ' A' ' 113' ' ' LEU . 62.8 tpp -63.07 -44.17 96.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.976 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.37 -45.77 68.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -175.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mp -67.56 -39.37 84.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.9 m -62.75 -41.23 99.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.765 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.446 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 73.0 tp60 -67.6 -35.85 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -66.35 -39.08 88.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -64.29 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.711 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.14 -40.9 97.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -64.06 -37.4 87.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.5 m -65.97 -38.51 88.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.93 -46.46 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.148 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.67 98.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.5 m -60.08 -43.58 95.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.09 86.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.1 -41.43 99.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.97 -41.54 92.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.7 m -62.67 -32.93 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -85.07 1.6 47.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.33 12.07 40.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.598 166.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.1 t -84.73 127.23 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.775 0.321 . . . . 0.0 111.129 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -56.87 128.37 36.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.39 69.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.8 p -68.97 -18.21 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -92.36 -8.22 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.8 mt -106.23 128.36 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -173.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -130.52 124.37 31.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.711 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 55.2 p -125.76 149.1 48.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -175.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -145.26 128.43 16.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.835 173.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.446 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -90.87 133.25 11.7 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 167.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.408 ' HA ' ' SD ' ' A' ' 84' ' ' MET . 89.0 mt -129.4 149.88 51.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.969 0.414 . . . . 0.0 110.876 177.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.69 -157.7 6.89 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 165.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -63.95 124.0 12.84 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.602 2.201 . . . . 0.0 112.363 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.26 -45.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -140.56 81.95 16.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.917 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.32 142.55 73.3 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 47.0 pt -103.43 -20.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 -174.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -136.76 168.43 19.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.4 t -71.06 133.36 46.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -71.6 -15.33 62.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.5 p -80.15 -6.13 57.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 90.4 m -114.45 139.64 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.85 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 -174.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.2 -39.99 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.3 -46.3 79.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.549 -175.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -65.13 -32.13 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.831 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.31 96.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.1 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -69.4 -26.86 64.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.1 -11.98 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.784 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -87.42 81.48 7.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 171.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -143.65 147.4 34.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -169.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.78 139.51 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -113.67 132.32 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.499 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 4.9 mp -117.3 122.15 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -111.23 125.58 53.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.201 -176.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.475 HD23 ' C ' ' A' ' 138' ' ' LEU . 6.6 tt -107.96 115.46 30.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.9 t -136.98 118.24 11.05 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.725 0.774 . . . . 0.0 110.849 -175.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.07 134.82 65.87 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.663 2.242 . . . . 0.0 112.438 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.929 -179.531 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -96.73 123.54 40.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.9 t -105.24 122.33 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.7 m -119.91 136.0 54.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -103.34 132.73 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 171.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.3 t -141.1 102.76 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.23 -124.03 29.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.5 -171.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -99.56 1.22 43.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.741 0.305 . . . . 0.0 110.92 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -110.12 166.09 11.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -173.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.79 131.93 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.6 mt -117.39 121.81 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.4 mt -108.67 122.23 46.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -110.04 114.04 27.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.1 mtm -113.0 130.3 23.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.52 0.676 . . . . 0.0 110.858 -176.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -73.88 143.41 33.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.313 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -53.55 -40.08 65.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.32 -20.06 65.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -170.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.5 t -104.38 -26.69 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 -175.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.0 m -90.12 -51.24 5.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -171.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -116.63 153.17 32.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.8 146.53 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -67.6 -25.91 66.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.1 p -89.46 -15.78 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -168.41 145.32 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.51 63.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 170.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.7 m -111.84 133.59 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 164.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.33 135.08 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -172.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -79.08 154.94 77.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.546 0.689 . . . . 0.0 110.84 171.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 -40.07 66.41 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.364 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.12 -31.0 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.13 -36.85 44.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.488 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.32 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.041 175.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.42 -40.55 97.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 177.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -62.7 -44.28 96.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 mt -67.3 -28.06 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.2 m -64.04 -40.61 96.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 170.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -62.26 -38.79 96.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 172.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.17 -44.46 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 173.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.4 88.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.45 -22.27 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 55' ' ' GLY . 93.6 t -94.57 -45.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.195 -175.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.03 -33.78 76.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -71.92 -35.89 69.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.38 -31.26 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -119.97 83.68 31.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.675 0.75 . . . . 0.0 110.904 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -67.13 -15.67 47.02 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.627 2.218 . . . . 0.0 112.391 -175.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -92.58 26.31 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 p -124.57 151.02 45.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' HB2' HD13 ' A' ' 141' ' ' LEU . . . -115.94 148.59 39.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.079 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.67 131.31 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -117.62 120.22 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.2 t -106.3 117.52 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.4 tt -127.16 127.24 69.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.48 142.91 15.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -147.51 149.76 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.974 0.416 . . . . 0.0 110.984 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 166.485 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -54.41 -46.55 73.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.23 -46.12 90.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.0 tp -64.99 -40.24 94.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -62.58 -51.28 67.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.8 ttm -47.85 -45.31 29.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 171.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.17 -45.98 89.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -174.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.15 -38.26 90.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.956 173.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.9 m -62.62 -39.54 94.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.79 -39.29 91.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -68.98 -47.8 64.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -175.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -65.97 -35.06 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.35 95.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.075 175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -67.28 -34.07 76.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m -64.05 -39.63 94.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.41 -42.9 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 173.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.77 85.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.7 m -61.23 -43.09 99.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.25 94.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.104 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 69.1 mt -59.71 -43.27 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.51 -40.83 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 175.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.9 m -64.02 -32.19 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.79 7.51 23.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 -177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.9 8.9 57.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 170.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.34 128.43 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 111.098 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -57.9 124.79 20.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.85 70.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.5 p -70.11 -19.04 63.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -90.46 -4.75 56.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.1 mt -102.33 134.14 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 -175.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -127.05 133.19 50.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 170.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.6 p -114.38 140.07 48.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -140.13 154.0 46.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.3 144.54 12.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 113' ' ' LEU . 2.6 pt? -152.57 160.79 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 177.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.2 -156.84 19.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.602 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -49.24 125.12 12.89 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.761 2.308 . . . . 0.0 112.272 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.08 -67.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -132.28 119.66 16.65 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.628 0.728 . . . . 0.0 110.936 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.84 146.17 41.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.6 mt -100.19 -46.1 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.15 168.0 16.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 174.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 t -67.58 133.22 49.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -174.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.7 -6.65 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 p -74.18 -9.3 58.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.8 p -121.4 153.39 37.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.183 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.65 81.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.72 -42.18 86.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.55 -40.3 97.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -60.95 -42.31 97.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 0.0 110.964 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.63 99.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -68.4 -25.8 65.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -76.94 -16.72 59.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -90.36 84.55 6.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.89 155.55 48.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -175.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.9 t -123.53 136.08 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 171.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -117.02 130.03 56.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -169.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.1 mt -117.76 123.28 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.9 m -114.77 124.35 51.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.065 -173.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.15 121.56 45.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 91.5 p -147.16 149.15 34.27 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.646 0.736 . . . . 0.0 110.766 -173.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.31 135.14 59.55 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.638 2.226 . . . . 0.0 112.381 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.418 HD13 ' HB2' ' A' ' 67' ' ' ALA . 47.4 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.892 0.377 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -97.76 125.4 42.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.6 t -103.51 119.97 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.078 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -122.01 139.56 53.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -107.18 131.18 54.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 173.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -136.24 100.28 4.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.764 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.08 -127.71 35.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 -171.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.73 0.6 56.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 174.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -96.98 151.94 19.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.1 mt -122.46 124.39 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.3 mt -121.07 124.94 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mp -106.04 130.16 54.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 175.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -109.41 116.06 31.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 28.2 ttt -120.23 127.6 26.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.856 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 32' ' ' MET . 73.4 Cg_exo -54.9 138.74 78.24 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.289 -177.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -64.78 -32.99 74.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -69.48 -16.73 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -113.51 -6.52 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.8 m -95.86 -44.73 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -121.04 153.81 36.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.436 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 8.4 t70 -67.19 145.94 54.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -66.84 -24.42 66.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.5 p -93.16 -16.87 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -161.25 141.58 10.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.79 60.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 168.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.5 m -111.65 131.12 55.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 168.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.68 133.37 53.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -170.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 96.1 mttt -79.85 157.05 74.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.521 0.677 . . . . 0.0 110.858 172.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.96 -40.56 58.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.64 -33.49 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.84 -37.66 43.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.562 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.94 89.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.074 175.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.03 -41.93 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -62.27 -45.42 93.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 175.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.6 mt -64.83 -32.31 73.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 178.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.3 m -65.65 -39.97 91.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.44 -40.74 94.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 171.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.88 -40.66 87.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.773 0.321 . . . . 0.0 111.077 172.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.23 -40.84 78.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.9 mmm -63.81 -23.56 67.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.5 t -91.6 -45.08 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.226 -173.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.47 HD23 HG13 ' A' ' 103' ' ' VAL . 48.0 tp -63.51 -33.88 76.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.58 -40.66 95.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 177.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.74 -35.97 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -120.06 80.01 26.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.731 0.777 . . . . 0.0 110.843 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.15 -6.11 18.44 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.599 2.199 . . . . 0.0 112.351 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -92.21 17.1 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.4 p -122.7 158.43 30.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HB2' HD13 ' A' ' 141' ' ' LEU . . . -116.08 144.88 43.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.126 177.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.03 123.0 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -116.74 115.4 25.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 175.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.38 125.01 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.52 131.46 72.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.22 144.84 15.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 172.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -149.98 159.84 44.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.009 0.433 . . . . 0.0 110.92 -175.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.1 m . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.182 169.834 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 115' ' ' PRO . 81.2 t60 -54.8 -47.14 74.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.06 -49.65 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.17 -40.73 94.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -63.83 -50.26 69.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.4 ttp -49.97 -41.66 47.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 172.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.45 -45.99 81.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.83 -36.54 79.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 172.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 m -65.25 -38.82 91.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -60.35 -38.28 83.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 173.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -67.28 -40.68 86.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -57.6 -43.89 85.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 173.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.638 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -60.83 -44.96 96.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.08 -41.66 92.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 m -64.08 -39.34 93.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.15 -48.83 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -60.14 -41.75 93.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.4 m -59.54 -47.24 86.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.05 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.35 -47.84 84.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.912 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.27 -40.32 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.1 m -62.99 -35.14 79.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 175.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -84.99 9.96 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.01 7.67 59.56 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 167.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.47 HG13 HD23 ' A' ' 60' ' ' LEU . 96.3 t -79.66 128.48 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 111.11 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -52.59 119.07 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.13 71.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.5 p -71.0 -17.72 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -174.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -94.55 -8.7 37.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.4 mt -92.81 133.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -126.96 129.89 49.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 164.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.638 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 69.1 p -121.7 140.92 51.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.187 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -137.75 152.06 48.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.24 131.48 5.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.39 170.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.8 tp -142.64 141.47 31.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.08 -161.63 5.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.535 176.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 80' ' ' HIS . 78.9 Cg_exo -50.46 127.97 22.0 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.738 2.292 . . . . 0.0 112.364 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.96 -67.37 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -133.54 116.54 13.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.968 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.56 148.72 67.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.595 2.197 . . . . 0.0 112.372 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.0 mt -97.35 -49.15 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.54 168.68 15.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 172.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.5 t -65.72 132.57 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -171.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -74.45 -5.31 41.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 176.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 74.4 p -74.91 -9.03 58.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 59.7 p -121.13 155.14 35.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.25 87.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.035 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.29 -42.37 88.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.43 99.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -62.36 -42.81 99.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.91 95.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -72.96 -21.12 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -175.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -74.54 -16.2 60.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -90.18 83.51 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -128.05 160.72 31.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.787 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 99.4 t -121.55 139.97 47.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 170.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -114.93 130.06 56.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -167.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 85.5 mt -113.71 119.57 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 173.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.8 m -113.0 125.01 53.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -175.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 58.4 tp -111.92 123.06 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.2 p -147.05 149.81 36.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.25 136.82 69.71 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.612 2.208 . . . . 0.0 112.415 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 67' ' ' ALA . 51.5 tp . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.97 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.6 t -97.47 123.77 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.08 123.4 62.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.3 m -120.39 135.93 54.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -101.6 128.16 48.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 172.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -137.0 103.4 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.94 -122.46 24.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -172.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -96.23 -9.04 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.322 . . . . 0.0 110.898 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -103.5 167.3 9.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -171.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.3 mt -122.04 134.04 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.5 mt -113.24 121.73 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 176.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 58.9 mt -107.16 123.51 48.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -107.4 109.24 20.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 89.2 mtp -111.18 138.35 21.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.527 0.68 . . . . 0.0 110.879 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.37 132.4 19.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.296 171.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -63.17 -26.51 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.822 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -58.76 -28.3 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 -167.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.4 m -110.36 -7.57 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -172.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.4 p -96.31 -51.84 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -151.19 172.04 16.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -92.66 117.33 29.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.1 p -52.14 -24.84 7.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.5 m -64.56 -42.77 95.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -161.84 139.09 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.88 80.68 1.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -168.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.5 m -105.41 122.67 46.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 166.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.13 127.49 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.77 157.9 51.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.528 0.68 . . . . 0.0 110.855 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.03 -44.12 52.82 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.57 86.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.09 -36.02 64.26 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 176.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.58 87.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 111.102 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.59 -46.82 84.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.4 m -69.11 -42.22 76.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.86 -34.76 79.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.983 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.8 m -64.36 -37.55 87.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 171.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -59.83 -39.31 95.25 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 172.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.25 -41.44 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 172.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.03 88.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.33 -22.14 66.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 55' ' ' GLY . 84.9 t -87.85 -43.55 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.61 -35.47 80.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -71.62 -36.12 70.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -72.67 -34.97 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 176.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.01 79.97 42.49 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.693 0.759 . . . . 0.0 110.924 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.01 -8.21 22.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.234 . . . . 0.0 112.371 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -90.2 12.31 18.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.4 p -121.41 152.11 39.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.18 151.81 34.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.46 131.17 64.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -120.1 115.18 23.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 172.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.8 t -113.09 124.1 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -176.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.5 mt -124.08 124.94 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.87 140.2 15.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -159.53 164.77 34.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.937 0.398 . . . . 0.0 110.939 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.8 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.099 171.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -55.0 -47.38 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.01 -47.5 80.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.09 -42.93 96.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.67 -45.27 90.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 60.5 ttm -54.46 -42.37 70.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.09 -42.78 93.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -177.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.17 -37.28 82.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 172.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.5 m -68.25 -34.54 76.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -60.86 -36.71 79.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 176.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.04 -40.53 96.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -63.09 -41.56 99.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.51 85.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.52 -40.79 96.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.4 m -65.07 -42.1 94.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.1 -47.02 86.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.01 96.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -61.94 -43.87 97.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.77 86.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.079 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.18 -42.14 98.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.915 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.61 -40.57 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.8 m -63.14 -32.79 74.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -86.1 7.31 25.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.98 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.5 9.94 56.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.498 167.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -83.59 129.62 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.912 0.387 . . . . 0.0 111.107 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -57.71 125.54 23.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.06 -26.75 64.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.096 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.5 m -65.85 -26.36 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -89.58 -6.02 56.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -176.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.7 mt -102.07 130.28 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -174.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -127.57 129.88 48.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 166.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.7 p -128.28 147.57 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.166 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -147.33 141.46 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -114.87 128.02 7.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.1 mt -130.07 156.49 44.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.948 -175.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -73.53 -165.63 10.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.61 167.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -48.28 127.04 14.74 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.98 -68.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -127.99 101.31 22.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.879 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -78.25 163.45 27.63 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.278 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.4 mt -96.84 -47.48 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.565 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -137.83 170.05 16.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.083 -174.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.7 t -64.86 138.13 58.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -174.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.13 -4.91 41.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.8 p -76.26 -8.15 56.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.2 p -119.14 152.89 35.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.33 90.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.86 -41.63 91.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.565 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -64.86 -40.56 97.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -60.79 -43.57 97.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.985 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.18 97.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -70.81 -29.85 66.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -173.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -73.97 -6.85 49.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -169.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -84.91 84.81 7.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 172.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -127.5 145.22 50.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.754 -167.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.78 139.93 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 173.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -114.35 131.14 56.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -170.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.42 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 88.1 mt -117.7 120.24 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 173.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.3 m -110.85 124.33 51.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 83.2 mt -113.98 118.33 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 175.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 89.3 p -142.59 147.8 44.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 -173.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 52.9 Cg_exo -54.94 139.07 79.13 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.691 2.261 . . . . 0.0 112.298 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.893 -178.604 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.845 0.355 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 t -96.87 116.22 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -104.73 121.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.116 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.2 m -122.54 137.41 54.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.161 -174.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -98.92 126.69 44.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 172.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.5 t -136.14 102.93 5.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 -175.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.98 -124.68 28.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.547 -171.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -95.31 -4.76 44.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -109.02 166.36 10.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -128.08 132.37 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.5 mt -118.22 126.07 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.17 114.23 27.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.984 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -111.09 118.98 37.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.9 ptp -121.17 145.64 42.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.579 0.704 . . . . 0.0 110.881 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.54 145.6 37.81 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.306 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -57.27 -35.06 69.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.21 -25.83 68.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -163.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -108.17 -14.88 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.1 m -101.37 -48.94 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -168.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -122.68 152.14 40.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.417 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 66.1 t0 -65.09 133.97 52.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.754 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.9 p -66.29 -20.9 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.9 m -85.44 -26.68 26.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.3 t -163.12 150.22 12.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -177.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 90' ' ' ARG . . . -71.57 66.27 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.9 m -119.09 135.25 54.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 167.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.85 132.47 48.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -173.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 98.3 mttt -77.96 155.23 80.31 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.571 0.7 . . . . 0.0 110.793 170.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.85 -40.55 57.4 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 174.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.88 -33.1 74.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.73 -38.12 61.12 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.74 85.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 111.056 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.37 -43.03 98.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -62.74 -43.19 99.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 175.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.86 -33.35 75.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.7 m -64.75 -42.05 95.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.503 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -60.45 -41.61 98.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 173.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.0 t -62.03 -39.91 85.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.08 92.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.0 mmm -64.23 -24.9 67.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 55' ' ' GLY . 87.5 t -87.66 -46.3 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.176 -176.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.64 -35.48 80.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -57.06 -35.0 68.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -71.15 -25.26 62.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -122.79 83.95 49.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.679 0.752 . . . . 0.0 110.906 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.15 -10.03 27.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.408 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.73 5.19 49.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.6 p -119.98 156.19 31.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.38 158.24 26.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.86 127.49 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -123.09 113.51 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -110.15 124.97 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -174.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.3 mt -123.42 125.82 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.99 139.47 14.55 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.516 174.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -151.84 150.46 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.962 -176.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 169.831 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -55.03 -47.26 74.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.44 -47.51 83.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 -175.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.89 -42.85 94.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.19 -46.49 86.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.403 ' HG3' ' HA ' ' A' ' 113' ' ' LEU . 51.6 ttm -54.96 -42.8 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 173.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.73 -44.17 91.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.59 -37.48 86.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 172.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 m -63.61 -39.9 95.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -64.99 -37.98 89.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.945 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 43' ' ' ALA . 37.8 tt0 -63.85 -51.08 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.43 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 13.0 ptp180 -65.21 -31.16 72.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.5 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -61.58 -44.55 96.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.078 175.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.82 -35.62 81.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.6 m -64.22 -40.1 95.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.45 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.49 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.8 m -61.19 -46.03 92.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.7 89.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.061 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.96 -42.45 98.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.02 -41.3 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.0 m -63.14 -33.01 74.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -85.85 8.96 18.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.03 10.15 57.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 166.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.5 t -81.73 129.49 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.352 . . . . 0.0 111.186 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -54.37 123.35 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.02 -28.43 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.4 m -68.39 -25.02 64.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -91.89 -8.5 46.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.5 mt -95.13 129.27 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -177.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -127.64 130.01 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 166.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.5 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 80.3 p -128.03 140.72 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.226 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -139.95 150.0 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.06 134.99 8.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.403 ' HA ' ' HG3' ' A' ' 84' ' ' MET . 2.9 pp -142.86 158.06 43.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 178.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.98 -158.63 29.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.574 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.73 127.18 18.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.338 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.02 -65.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -132.29 115.89 15.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.22 154.99 37.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 83.7 mt -100.03 -50.06 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.43 168.25 14.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.6 t -66.67 133.59 50.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -174.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -75.45 -3.67 35.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.9 p -74.89 -9.54 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.05 0.452 . . . . 0.0 110.918 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.5 p -119.51 153.87 34.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.89 85.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.54 -43.13 86.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.82 -39.2 97.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -61.01 -44.22 97.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 0.0 110.953 177.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.32 98.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -68.09 -21.98 64.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 -175.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -82.14 -4.3 56.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -174.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -97.79 99.4 10.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -135.02 154.79 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -169.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.9 t -125.43 135.01 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 169.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -117.08 129.87 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -171.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.77 120.48 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 173.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -111.79 119.22 37.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.8 tt -113.43 116.0 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.8 p -151.42 154.18 33.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 0.0 110.782 -169.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.99 133.55 52.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.282 177.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 46.3 tp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -178.35 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 t -97.87 126.36 43.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -106.26 121.98 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.2 m -119.94 134.76 55.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -103.32 128.15 50.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.7 t -137.31 102.07 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.97 -122.78 24.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.545 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -97.34 -10.0 26.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -98.99 168.03 10.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -172.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.4 mt -120.0 129.89 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.223 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.1 mt -117.12 120.21 64.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 57.5 mt -108.91 126.19 52.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -106.95 112.77 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.1 mtp -112.48 134.23 21.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.499 0.666 . . . . 0.0 110.897 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.83 145.24 31.88 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -51.8 -34.73 41.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.819 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.71 -25.35 68.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -165.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 m -109.25 -16.63 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -169.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.0 p -90.2 -59.64 2.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 -174.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -132.38 162.26 31.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -88.79 147.53 24.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.806 -174.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.6 p -64.0 -23.49 67.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.4 p -89.56 -28.04 19.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.794 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 t -160.52 141.59 12.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.21 66.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.3 m -113.44 127.66 56.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.125 168.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.26 133.13 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -169.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.24 156.27 63.16 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -51.32 -41.54 58.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.405 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.0 -36.2 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.28 -37.79 59.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.52 87.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.09 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.71 -43.71 95.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.804 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.0 m -65.93 -43.42 88.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.4 mt -66.67 -29.81 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.5 m -64.33 -40.75 96.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 170.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.508 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -60.62 -38.3 94.81 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.424 172.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.65 -42.53 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 111.095 172.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.28 89.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.3 mmm -61.9 -24.95 67.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 55' ' ' GLY . 96.4 t -89.15 -45.1 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.192 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.77 -35.77 82.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.84 -35.55 74.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -75.09 -32.22 61.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -122.02 80.33 42.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.73 0.776 . . . . 0.0 110.899 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.63 -4.78 15.3 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.392 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -91.02 7.82 38.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.2 p -120.54 150.68 40.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.94 156.09 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.132 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.46 130.42 68.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 109' ' ' ARG . 53.6 t-20 -119.89 119.97 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 172.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -111.55 123.58 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.069 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.46 HG12 ' HB2' ' A' ' 111' ' ' GLN . 71.9 mt -120.3 124.25 72.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.64 140.58 15.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.495 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -159.77 164.1 34.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.933 0.397 . . . . 0.0 110.916 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.054 173.934 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -54.57 -49.06 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.871 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.54 -46.91 80.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.97 -38.21 87.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -64.5 -45.61 86.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.7 ttm -53.89 -39.16 65.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.801 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.07 -46.41 81.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.96 -40.11 92.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 171.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.4 m -62.05 -37.54 85.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -61.56 -40.94 96.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.42 -46.74 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -67.32 -32.92 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.94 -43.13 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 173.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.94 -34.95 79.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 177.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -64.63 -38.34 90.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.34 -47.49 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.186 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.9 93.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.02 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m -60.87 -43.96 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.899 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.75 82.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.64 -42.78 97.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.7 -41.29 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.5 m -64.08 -31.54 72.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -84.31 3.89 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.24 9.69 55.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 169.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.3 t -81.39 129.93 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 111.131 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -54.61 122.47 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.27 -32.27 68.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -70.64 -17.86 62.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -95.0 -7.39 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 80.6 mt -97.51 128.43 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 91.5 mmt-85 -128.62 131.03 48.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 167.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.566 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 81.2 p -126.88 141.88 51.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.46 ' HB2' HG12 ' A' ' 71' ' ' ILE . 49.2 mt-30 -137.41 144.96 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.25 131.65 9.86 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.414 172.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.0 mt -130.26 155.01 46.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.908 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.86 -165.28 13.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 166.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -49.96 128.32 21.68 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.78 -70.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -127.36 105.53 21.62 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.706 0.765 . . . . 0.0 110.889 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.45 165.8 24.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 177.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.4 mt -98.84 -49.93 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.604 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -131.98 169.24 16.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -175.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.438 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 35.0 t -64.98 137.72 57.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 -175.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -74.61 -3.45 31.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p -75.13 -8.01 55.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.7 p -119.64 153.78 35.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 174.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.12 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.66 -39.75 91.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.604 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.0 -41.68 99.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.48 -44.17 93.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.46 93.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -72.68 -30.52 64.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -172.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -72.41 -9.51 58.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -169.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -89.44 108.0 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 172.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -144.16 143.79 31.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -160.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 86.3 t -123.39 137.05 57.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 171.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -115.64 131.15 57.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.449 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 85.7 mt -114.86 120.68 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.0 m -113.92 119.72 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.8 tt -115.66 116.8 28.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.6 p -150.24 155.13 37.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 -170.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.4 136.52 56.04 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.645 2.23 . . . . 0.0 112.295 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 51.4 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.52 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.877 0.37 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 t -92.85 126.7 38.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.68 121.49 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.8 m -120.07 135.61 54.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -105.57 128.02 53.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 171.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -136.58 103.94 5.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.28 -122.71 24.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -171.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -96.59 -13.12 23.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 110.895 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -96.15 167.41 11.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -172.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.1 mt -124.02 131.79 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.04 122.24 69.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.3 mt -109.93 130.46 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -116.11 112.85 22.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 175.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 60.9 mtm -106.9 135.97 19.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.534 0.683 . . . . 0.0 110.849 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.67 141.93 38.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -55.94 -33.76 65.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -57.84 -26.43 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -164.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 m -115.61 -9.76 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -174.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -108.01 -56.68 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -175.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -133.44 -177.14 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -170.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -133.08 126.55 32.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 172.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.0 m -57.38 -26.7 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.8 m -73.58 -35.29 65.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -153.83 128.78 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 176.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 90' ' ' ARG . . . -74.21 69.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.6 m -111.85 125.14 53.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 169.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.88 132.39 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -85.54 155.4 59.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.538 0.685 . . . . 0.0 110.84 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.52 -41.3 68.81 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.687 2.258 . . . . 0.0 112.414 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.05 -33.69 74.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.16 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.54 -38.31 57.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.547 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.44 84.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.319 . . . . 0.0 111.055 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.54 -43.73 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.1 m -65.44 -41.66 93.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.36 -32.54 74.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -64.63 -40.29 95.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.56 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -60.53 -39.99 97.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.436 172.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.82 -41.31 92.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.693 0.282 . . . . 0.0 111.041 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.44 85.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.048 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.5 mtp -63.45 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 55' ' ' GLY . 90.0 t -88.43 -47.4 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.158 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.95 -39.3 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -63.48 -30.51 71.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -75.93 -27.07 57.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -120.0 81.06 27.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.698 0.761 . . . . 0.0 110.881 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.68 -9.16 25.22 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.716 2.277 . . . . 0.0 112.395 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.1 4.08 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 177.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.6 p -121.88 159.56 26.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.17 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.71 150.31 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.6 t -110.63 124.31 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 109' ' ' ARG . 55.7 t-20 -114.81 117.91 32.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 173.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.1 t -106.06 121.73 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.404 HG12 ' HB2' ' A' ' 111' ' ' GLN . 82.1 mt -118.96 120.79 65.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -176.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.3 135.16 12.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.481 172.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -149.67 163.14 38.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.045 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.126 166.791 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -55.01 -45.59 75.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.68 -48.81 79.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.39 -40.2 95.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.81 -43.1 94.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -177.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 68.1 mtm -53.99 -43.08 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 171.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.79 -46.77 74.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.964 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.42 -41.06 93.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 173.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.2 m -63.01 -39.94 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -65.68 -40.03 91.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.924 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.33 -47.83 77.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 18.2 ptp180 -65.31 -32.5 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.636 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -60.64 -42.9 97.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 176.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.28 -37.89 89.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.6 m -65.02 -39.98 94.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.14 -46.57 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.95 92.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -61.02 -44.17 97.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.2 87.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.098 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.67 -42.21 98.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.11 -40.66 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 176.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.4 m -63.11 -32.81 74.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 176.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -84.75 6.23 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.28 10.55 51.02 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 168.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.23 131.38 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 111.172 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.41 126.1 26.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 175.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -27.27 65.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.8 p -69.78 -21.61 63.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -92.53 -9.76 40.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.4 mt -94.68 128.14 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 91.2 mmt-85 -128.38 132.44 48.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 168.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.636 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 73.1 p -129.57 142.21 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HB2' HG12 ' A' ' 71' ' ' ILE . 54.5 mt-30 -137.25 148.08 46.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -118.03 128.21 7.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 173.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 89.1 mt -133.2 156.8 46.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.12 -159.49 32.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 168.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -53.5 131.89 45.96 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.668 2.245 . . . . 0.0 112.291 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.94 -67.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -131.43 108.92 14.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.692 0.758 . . . . 0.0 110.927 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.07 153.01 67.94 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.61 2.207 . . . . 0.0 112.398 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.1 mt -96.62 -46.92 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.98 171.86 10.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.8 t -67.44 134.83 52.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -75.08 -6.01 47.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 175.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.5 p -75.72 -9.26 58.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.3 p -119.43 152.42 36.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 174.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.76 -37.41 86.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.059 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.06 -41.27 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.76 -40.89 97.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -62.55 -40.53 97.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.992 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.4 98.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.7 -26.91 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -80.66 -8.6 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -91.84 79.96 5.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 170.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -136.8 158.93 43.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.82 154.54 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -116.61 132.06 56.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.2 mt -117.03 122.06 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 169.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.0 m -112.02 124.22 51.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 48.6 tp -112.94 120.52 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.0 p -154.38 152.74 26.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 110.774 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.36 134.18 50.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.635 2.223 . . . . 0.0 112.337 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 -179.057 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.899 0.38 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -97.56 123.16 41.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.56 123.13 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 -174.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.2 m -119.99 136.88 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -104.74 134.55 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 171.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -140.34 99.42 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.785 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.94 -123.28 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.526 -173.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -97.8 10.51 39.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -102.39 154.06 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.3 mt -117.73 124.26 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.8 mt -115.76 120.68 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.6 mt -103.3 121.9 43.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -104.09 109.99 22.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.6 mtt -119.82 138.83 27.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.431 0.634 . . . . 0.0 110.972 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.49 136.8 24.37 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 176.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -68.47 -24.02 64.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -61.71 -23.82 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.763 -170.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.0 m -112.38 -5.76 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.8 m -102.23 -48.75 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -174.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -115.79 151.24 35.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.46 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 66.8 t0 -71.61 133.97 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.858 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.1 p -70.68 -22.54 62.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.3 p -92.19 -6.58 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.0 t -174.44 143.1 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.47 60.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.04 173.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.4 m -116.58 138.83 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 162.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.33 135.48 56.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 97.0 mttt -73.67 152.89 89.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.67 . . . . 0.0 110.861 173.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.79 -40.3 74.91 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.347 175.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.74 -27.45 69.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.66 -37.53 30.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.77 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.063 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.14 -40.44 96.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.1 m -60.11 -45.46 92.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.16 -28.96 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.964 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 100.0 m -65.01 -39.95 94.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 172.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -61.61 -39.08 96.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 170.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.52 -40.07 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 111.036 172.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.01 76.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.059 174.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.4 mmm -64.42 -19.44 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 55' ' ' GLY . 95.1 t -93.79 -54.3 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -173.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.7 tp -68.29 -33.91 75.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -67.29 -39.77 86.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -77.67 -27.5 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -120.76 77.12 29.05 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.724 0.773 . . . . 0.0 110.937 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.85 -7.06 20.39 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -87.24 8.45 24.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.3 p -123.83 160.09 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.456 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -114.42 142.99 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 176.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.48 121.3 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -117.26 115.27 24.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.35 121.38 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -177.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 85.1 mt -122.68 124.12 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.87 136.43 13.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.56 178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -155.97 158.95 38.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.966 0.412 . . . . 0.0 110.953 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.6 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.105 175.172 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -52.78 -47.11 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.18 -49.21 76.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.9 -41.41 95.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.48 -52.12 62.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.4 ttp -46.07 -44.86 15.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.19 -45.51 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.4 mt -60.45 -38.09 83.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.416 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 67.8 m -64.78 -39.33 93.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -56.96 -41.03 77.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 174.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -67.09 -43.58 82.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' A' ' 87' ' ' SER . 87.9 mtm180 -63.54 -37.62 88.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.55 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -63.44 -43.81 96.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 176.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.4 -36.67 83.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.1 m -64.86 -39.75 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.91 -48.4 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.104 176.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.55 -42.28 98.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.8 m -59.06 -46.69 87.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.44 87.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.108 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.42 -44.72 95.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.929 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.41 -41.65 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.6 m -62.96 -33.27 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.138 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -87.1 19.05 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.98 4.76 66.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 165.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.4 t -81.25 131.68 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 111.081 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -58.4 121.42 10.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.79 -29.65 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.3 p -71.35 -18.84 62.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -174.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -95.52 -8.12 36.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.5 mt -93.14 135.37 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -127.74 130.62 49.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.775 166.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.55 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 82.1 p -130.95 144.53 51.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -146.84 142.82 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.11 130.84 9.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.524 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.4 mt -128.77 155.55 44.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.45 -160.93 28.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 167.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -49.24 128.39 19.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.99 -69.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -131.63 109.69 14.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.644 0.735 . . . . 0.0 110.93 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.94 158.74 42.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.0 mt -95.54 -45.5 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.403 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -135.6 168.83 18.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -64.44 133.77 53.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -174.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -72.19 -3.75 25.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.921 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.4 p -75.01 -8.27 56.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.7 p -121.39 153.21 38.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.36 87.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.52 -42.08 87.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.47 -41.5 99.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.478 178.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -60.67 -44.64 96.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.891 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.68 96.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -68.21 -29.38 68.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -71.21 -11.47 60.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -171.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -88.81 92.6 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -130.09 147.8 51.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -164.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.93 138.58 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -117.85 137.38 52.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -172.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 75.4 mt -114.79 121.3 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.9 m -110.59 123.9 50.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 -176.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.3 tp -110.98 121.56 45.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 176.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.5 t -143.57 130.76 10.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.85 -173.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.6 145.06 39.65 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.306 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 67' ' ' ALA . 79.2 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.459 -0.02 0 CA-C-O 120.893 0.378 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.9 t -99.34 120.38 39.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.0 t -102.22 121.36 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.8 m -121.05 139.52 53.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -117.42 135.38 53.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -144.09 116.18 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.03 -123.58 31.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -172.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -100.17 -4.52 29.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.812 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -104.65 168.3 9.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.8 mp -122.73 132.6 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.3 mt -118.93 120.25 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.0 tp -108.68 124.64 50.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -105.04 110.05 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 96.3 mtp -107.38 113.62 61.73 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.512 0.672 . . . . 0.0 110.92 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.69 131.9 35.34 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.83 -38.62 91.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -65.21 -29.57 70.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -166.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -108.47 -4.67 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 -170.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.2 p -114.84 -30.44 6.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.13 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -124.06 155.48 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.469 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 8.5 t70 -64.86 145.88 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.7 p -70.47 -25.88 63.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -175.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -91.71 -20.19 21.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.8 t -160.84 149.65 16.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.785 -175.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 90' ' ' ARG . . . -70.03 66.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.195 172.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.4 m -114.85 131.85 56.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 168.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.4 tp -64.07 131.74 48.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.946 -173.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.469 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 96.2 mttt -80.28 155.03 74.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.498 0.666 . . . . 0.0 110.947 171.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -52.16 -40.74 68.32 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 175.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.51 77.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.7 -36.94 67.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.426 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.86 82.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.822 0.344 . . . . 0.0 111.078 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.45 -42.3 96.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.3 m -64.24 -43.27 95.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -63.04 -31.71 72.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 178.398 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -65.15 -40.12 93.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.069 171.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.4 -44.68 96.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 172.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.8 t -56.98 -41.88 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.34 92.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 175.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.5 mmm -66.56 -29.55 69.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.45 -51.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 -174.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 60' ' ' LEU . 4.1 pp -64.61 -24.34 67.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 177.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.36 -34.41 72.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.37 -23.3 65.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.477 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 70.8 m-85 -112.5 96.96 38.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.75 0.786 . . . . 0.0 110.959 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 63' ' ' TYR . 27.4 Cg_endo -62.57 -31.49 79.84 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.256 . . . . 0.0 112.405 -177.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -102.64 87.22 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.993 171.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 t -149.39 160.44 43.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -118.85 146.7 44.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 175.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.9 t -109.59 123.81 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -119.98 114.42 22.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -113.4 119.24 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.9 mt -126.98 130.25 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -129.96 148.85 18.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.574 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -163.63 164.32 24.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.389 . . . . 0.0 110.959 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.125 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -54.03 -50.24 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -175.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.78 -44.28 96.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.6 tp -64.47 -43.45 94.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -63.83 -47.27 81.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.9 ttp -61.99 -41.66 98.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.87 -44.3 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.63 -35.97 81.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.0 m -62.74 -43.13 99.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.411 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 72.8 tp60 -67.41 -37.19 82.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.857 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -66.35 -47.25 74.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.544 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 17.6 ptp180 -65.71 -35.43 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 177.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.466 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -64.69 -41.56 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 173.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -65.91 -33.87 76.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.0 m -64.07 -37.92 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.5 t -60.89 -45.39 98.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.094 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.442 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -60.85 -42.98 98.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.07 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.5 m -58.44 -44.52 89.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.79 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.88 -47.54 82.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.5 pt -70.92 -25.72 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.191 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.1 m -67.16 -36.18 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 169.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -90.01 12.76 16.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.76 10.49 55.26 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 165.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.484 HG22 HD11 ' A' ' 60' ' ' LEU . 89.1 t -83.01 127.99 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -56.91 122.91 13.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.41 -29.49 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -70.6 -15.31 62.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -174.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -94.15 -7.6 41.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.8 mt -101.21 135.75 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 -174.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -127.66 130.93 49.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 170.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.466 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 26.3 p -123.25 131.76 53.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -175.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -134.33 121.44 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.411 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -94.03 136.84 13.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 167.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.85 152.51 50.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.815 0.34 . . . . 0.0 110.924 175.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.51 -163.96 13.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.565 162.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -49.27 124.49 11.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.31 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.03 -64.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -132.57 90.68 32.54 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.574 0.702 . . . . 0.0 110.931 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.72 143.39 47.43 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.8 mm -89.45 -45.38 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.51 166.97 23.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.5 t -66.01 136.19 55.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -171.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.11 -14.4 62.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.1 p -74.99 -10.8 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -169.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.5 p -121.92 151.68 40.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.04 83.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.072 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.83 -39.04 87.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.47 -38.15 95.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.31 -41.35 96.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 175.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.36 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.46 -25.86 64.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -63.98 -29.0 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.03 80.0 6.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.17 149.91 48.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.75 154.16 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -121.05 131.23 54.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 80.8 mt -117.07 121.42 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 172.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.6 m -112.87 126.85 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -175.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.3 mt -104.76 112.27 25.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 41.4 t -166.13 133.41 2.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.911 -175.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.03 135.98 46.29 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.936 -177.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.8 m -101.13 126.24 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.2 t -103.16 122.05 55.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.0 m -121.2 140.5 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -117.14 133.6 55.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -140.82 110.06 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.26 -124.98 28.75 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.538 -170.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -98.37 1.87 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 173.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -100.63 160.03 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.97 127.95 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.1 mt -116.81 120.12 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.5 tp -106.75 125.32 50.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.983 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -104.83 108.61 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.0 mtp -109.76 112.64 58.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.943 -175.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.2 132.73 35.08 Favored 'Trans proline' 0 N--CA 1.466 -0.116 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 172.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -66.3 -33.12 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -66.8 -24.98 66.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.5 t -107.05 -17.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.183 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.8 m -99.25 -42.32 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.119 -176.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -114.31 157.5 22.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -61.64 146.48 48.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.0 p -68.48 -26.43 65.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.2 p -91.74 -17.1 25.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -175.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 t -161.7 142.33 10.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.796 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.06 61.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.163 170.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.0 m -113.36 133.32 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 166.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 tp -58.75 131.28 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.778 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 10.2 mmpt? -87.77 156.75 52.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.886 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -51.8 -41.66 61.37 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.633 2.222 . . . . 0.0 112.336 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.22 -34.96 75.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.72 -37.52 57.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.33 90.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 111.163 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -65.73 -43.03 90.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.8 m -65.33 -44.17 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 176.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.04 -30.19 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.862 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.3 m -65.23 -38.48 90.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.164 170.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.61 -41.38 97.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.01 -41.11 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.349 . . . . 0.0 111.151 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.26 85.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.2 mmm -64.73 -21.9 66.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.15 -43.11 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.78 -28.89 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.64 -38.63 87.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.95 -32.36 63.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.941 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -120.26 78.24 26.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.764 . . . . 0.0 110.831 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.36 -23.69 75.31 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.764 2.309 . . . . 0.0 112.349 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.89 61.26 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.0 m -138.21 138.8 38.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -101.52 141.14 34.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 174.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.0 t -108.81 126.24 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.071 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -119.62 113.97 21.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.44 120.86 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -176.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.6 mt -124.29 123.13 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.067 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.31 141.47 16.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 172.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -149.94 150.24 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.955 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.187 173.326 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -56.75 -50.61 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.24 -41.78 93.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.6 -38.49 89.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -61.64 -41.1 97.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -72.01 -42.45 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.76 -45.43 78.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.56 -41.65 98.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 m -63.36 -38.97 93.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -62.67 -40.01 95.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.857 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.72 -40.14 84.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -61.55 -47.18 86.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.24 95.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.13 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -69.39 -32.08 70.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.9 m -64.36 -39.15 93.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 175.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.36 -45.73 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.048 172.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -61.82 -42.82 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.4 m -58.23 -43.95 87.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.22 96.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.093 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.14 -47.33 83.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.8 pt -71.47 -26.01 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.2 m -67.28 -36.84 82.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -90.13 13.19 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -177.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.23 10.24 49.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 163.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.9 t -83.76 126.02 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.165 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -55.78 124.99 19.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.65 -29.53 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.8 p -70.9 -14.05 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -91.8 -5.24 53.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.0 mt -110.22 138.02 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 -172.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -127.91 134.11 49.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.979 170.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.43 HG21 ' HB2' ' A' ' 95' ' ' ALA . 80.7 p -125.29 147.02 49.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 -175.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -147.3 129.96 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 172.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -92.81 132.51 11.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.424 166.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.76 150.66 50.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.93 -154.28 10.56 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 162.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.86 123.31 12.1 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.03 -65.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -129.69 101.88 18.36 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.57 0.7 . . . . 0.0 110.972 171.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -55.42 141.33 82.31 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.66 -49.15 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.83 165.62 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.43 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 40.8 t -66.59 135.03 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -169.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.01 -15.73 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 174.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.2 p -75.75 -9.65 58.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.9 p -122.41 152.38 40.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.69 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.83 -38.61 86.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.77 -38.21 95.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.556 176.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 131' ' ' ASN . 97.6 mttt -61.85 -40.61 95.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.743 0.306 . . . . 0.0 110.901 175.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.33 94.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.75 -26.62 64.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 128' ' ' LYS . 18.8 t-20 -61.98 -30.43 70.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 177.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -88.91 83.15 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -134.63 142.06 46.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -172.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 80.7 t -122.14 136.15 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 170.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -116.57 134.89 54.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -173.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.1 mt -116.68 122.37 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.084 176.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -110.18 124.81 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.9 mp -103.68 113.66 27.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.624 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 44.3 t -161.21 124.43 1.87 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.726 . . . . 0.0 110.959 -177.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 65.4 Cg_exo -54.68 134.49 62.73 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.266 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.592 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.3 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.889 0.376 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -64.27 -31.28 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.5 mmm -70.66 -33.17 70.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.825 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -70.26 -31.97 69.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 65.4 t -71.62 -47.37 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -66.0 -40.38 91.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.93 -42.24 98.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.16 94.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.02 -42.14 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 175.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.94 -35.57 81.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.1 -44.57 94.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.03 -42.02 94.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.22 -28.32 69.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 79.2 mtm -102.84 0.61 32.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -84.5 88.62 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.47 -178.04 42.55 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.5 p -89.28 -15.71 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 111.115 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.18 -12.94 44.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.426 -170.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.6 t -98.75 133.28 41.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.359 . . . . 0.0 111.134 174.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.0 t -98.18 120.83 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG22 ' HG ' ' A' ' 30' ' ' LEU . 64.9 t -106.55 115.91 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.6 p -125.07 153.87 42.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -173.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -116.7 136.12 53.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -134.94 105.64 6.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.78 -121.86 12.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -170.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -105.49 5.65 31.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.825 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -110.76 166.0 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 82.3 mt -123.9 132.15 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.9 mt -118.68 124.22 72.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.468 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 9.5 mp -105.52 128.07 53.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -111.96 113.1 25.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.1 ptm -132.06 139.03 33.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.524 0.678 . . . . 0.0 110.877 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.28 140.02 17.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.312 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -74.86 -39.21 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -63.77 -28.25 69.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -170.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.98 -23.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 -19.51 12.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -167.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.77 158.56 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 39.0 t0 -61.73 152.05 32.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.4 p -75.14 -24.81 58.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.2 p -92.97 -25.64 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -173.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -155.17 157.65 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.04 64.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 171.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.4 m -110.4 125.22 53.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 170.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -66.42 134.54 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -172.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 98.1 mttt -91.15 160.12 38.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 170.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.27 -40.77 69.22 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.62 2.214 . . . . 0.0 112.343 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.99 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.25 -36.42 70.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.95 82.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.22 -43.42 91.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.6 m -64.21 -44.78 90.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.01 -32.47 74.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.6 m -65.39 -39.75 92.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 173.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.98 96.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.99 -41.65 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 111.119 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -59.81 -38.31 81.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 178.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.18 -24.53 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.79 -48.13 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 -173.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.449 HD23 HG11 ' A' ' 103' ' ' VAL . 36.9 tp -67.19 -35.03 78.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.06 -37.53 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -81.53 -20.63 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -113.83 82.34 6.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.81 -16.08 37.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.7 5.1 44.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -122.83 155.17 37.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.198 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.2 149.16 46.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.2 t -109.29 126.62 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -116.19 118.74 33.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.03 123.45 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.4 mt -127.44 125.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.469 ' HA3' HG12 ' A' ' 134' ' ' VAL . . . -124.05 157.82 18.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -149.99 146.2 26.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 0.0 110.897 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.6 p -142.93 147.73 35.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 169.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -114.33 -49.96 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.7 p -83.51 23.45 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -175.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.4 p -92.68 -54.06 3.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.068 169.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.26 -157.51 10.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 170.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.69 162.2 48.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.12 -50.96 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -169.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.22 -43.3 96.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.1 tp -64.52 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -65.59 -38.65 90.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -59.2 -40.16 84.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.27 -44.33 79.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.49 -42.35 98.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.3 m -64.67 -40.31 95.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.457 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 67.1 tp60 -67.07 -36.0 81.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -65.04 -39.47 93.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -61.78 -40.09 93.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 172.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.561 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.23 -43.56 98.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -64.47 -37.48 87.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m -64.33 -39.89 94.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.31 -47.78 90.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.143 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.07 99.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -61.08 -44.67 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.21 -46.39 89.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 57' ' ' ALA . 95.7 mt -62.2 -44.96 95.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.7 -39.25 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.0 m -61.49 -33.0 73.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -86.05 7.93 22.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.5 9.7 56.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.449 HG11 HD23 ' A' ' 60' ' ' LEU . 85.0 t -80.62 129.25 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.152 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -58.52 126.56 28.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.55 -24.54 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.0 m -63.28 -24.37 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -100.64 -0.21 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -173.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.2 mt -101.97 124.62 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -126.07 121.88 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 175.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.561 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 66.0 p -131.35 146.79 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -141.87 135.75 29.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.457 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -95.11 115.0 5.0 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 174.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.6 tp -123.05 144.82 49.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 -177.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.54 -165.99 29.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.03 135.18 42.77 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -144.96 -45.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -144.81 73.22 15.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.534 0.683 . . . . 0.0 110.833 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.55 129.57 34.48 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.401 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 89.3 mt -55.95 -42.46 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.04 170.52 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.4 t -72.84 136.96 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -74.86 -2.01 24.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.7 p -76.75 -9.58 58.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.8 p -120.65 152.72 37.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.108 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.32 90.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.05 -40.74 87.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.846 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.55 96.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.479 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.96 -42.09 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.04 86.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.17 -33.22 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -77.99 -30.39 50.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -175.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.46 63.33 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -141.67 158.47 43.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.469 HG12 ' HA3' ' A' ' 72' ' ' GLY . 24.7 m -125.19 156.33 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -116.8 130.19 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.468 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 89.3 mt -113.23 120.83 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.6 m -107.92 121.71 45.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 47.0 tp -114.9 120.81 41.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.7 p -149.88 149.03 26.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.685 0.755 . . . . 0.0 110.88 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.98 127.44 26.35 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.625 2.217 . . . . 0.0 112.3 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 50.6 tp -171.06 129.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -176.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 92.9 mt -103.42 -5.58 22.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -70.26 133.06 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 -59.98 139.91 57.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -60.01 168.73 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.859 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -117.05 167.39 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -100.51 139.64 35.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -171.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -136.59 144.56 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -176.518 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.5 p90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.903 0.383 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -64.79 -30.38 71.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.5 mmm -70.29 -33.72 71.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -70.88 -31.82 68.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.26 -47.37 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.041 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.6 -39.9 92.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.38 -44.82 95.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.76 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.63 -42.86 95.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.09 -37.33 87.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.39 -40.47 95.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.59 -39.89 94.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -67.75 -27.5 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 78.7 mtm -101.46 0.07 36.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -84.01 88.97 7.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.38 -176.6 44.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.3 p -95.46 -11.98 26.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 111.184 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.13 -12.5 34.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.6 t -97.0 131.61 43.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.064 176.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -94.37 122.86 37.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.411 HG22 ' HG ' ' A' ' 30' ' ' LEU . 62.2 t -106.75 117.16 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -123.7 150.74 43.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.74 137.8 51.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -142.25 109.76 5.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.67 -124.04 30.21 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -105.01 18.53 22.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.942 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -125.63 165.57 18.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.2 mt -126.73 133.2 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.9 mt -119.57 124.79 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' HG ' HG22 ' A' ' 21' ' ' VAL . 10.6 mp -103.24 126.52 50.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.942 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -110.4 112.37 24.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 27.6 ptm -131.56 139.46 35.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.508 0.67 . . . . 0.0 110.918 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HA ' ' HG2' ' A' ' 133' ' ' ARG . 44.0 Cg_endo -72.27 134.14 22.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.736 2.291 . . . . 0.0 112.394 -174.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -72.85 -40.01 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -64.17 -32.44 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -173.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -82.02 -28.61 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.2 p -109.05 -15.67 14.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -166.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -114.88 159.84 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.65 145.1 55.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.7 p -71.26 -25.97 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -90.72 -23.03 20.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -157.5 155.92 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.457 ' HB1' ' HG3' ' A' ' 90' ' ' ARG . . . -68.92 65.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 170.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.3 m -114.28 128.63 56.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.11 134.93 52.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -176.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -87.37 157.76 52.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.71 . . . . 0.0 110.908 171.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.3 -40.09 78.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.272 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.41 81.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.42 67.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.532 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.08 -34.99 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.65 0.262 . . . . 0.0 111.048 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.74 -43.59 92.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.4 m -64.45 -43.57 93.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.412 HD22 HG13 ' A' ' 94' ' ' VAL . 89.2 mt -64.84 -32.63 74.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.1 m -64.76 -39.14 93.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 172.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.77 -42.0 96.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.4 -41.16 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 111.17 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.39 89.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.0 mmm -64.25 -26.36 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.0 t -88.93 -46.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.432 HD23 HG11 ' A' ' 103' ' ' VAL . 31.6 tp -64.71 -35.18 80.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.984 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.45 -36.65 84.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -68.27 -31.51 71.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -118.38 82.45 18.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.95 -9.12 25.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.07 11.08 19.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.7 p -125.17 155.11 40.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.31 155.76 36.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 p -109.75 129.57 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -118.64 124.1 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.48 125.33 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -174.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.4 mt -123.03 120.48 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -120.97 150.29 17.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.524 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -151.08 156.64 41.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 110.951 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -157.6 151.41 24.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.085 173.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -116.82 -53.2 2.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.2 p -83.87 55.75 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -174.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.4 m -124.88 -49.96 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.595 ' HA3' HD23 ' A' ' 82' ' ' LEU . . . -164.33 -153.12 7.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.438 169.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.2 163.81 25.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -55.54 -50.75 69.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -173.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.33 -41.28 93.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.595 HD23 ' HA3' ' A' ' 78' ' ' GLY . 62.1 tp -64.97 -39.53 93.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 177.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.38 -45.3 91.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 68.3 ttp -65.34 -42.71 92.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.93 -43.24 79.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.0 -40.34 94.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -63.92 -39.29 93.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -67.74 -36.1 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -65.41 -41.59 93.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' HG3' ' HB1' ' A' ' 43' ' ' ALA . 99.9 mtt180 -65.04 -38.09 89.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 176.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.721 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.55 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 174.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.75 -36.66 84.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.0 m -64.82 -39.0 92.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.412 HG13 HD22 ' A' ' 53' ' ' LEU . 52.2 t -62.99 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 175.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.11 99.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.4 m -60.19 -44.12 95.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.88 91.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.078 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.77 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.2 -40.69 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.2 m -62.5 -33.61 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -87.79 11.16 16.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.42 9.54 55.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 164.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.432 HG11 HD23 ' A' ' 60' ' ' LEU . 97.9 t -82.11 129.63 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 111.154 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.16 129.37 41.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.37 -24.49 67.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.5 m -65.67 -21.83 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -94.37 -10.06 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.3 mt -101.37 125.8 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -174.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -129.73 126.64 38.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 167.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.721 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 68.6 p -127.06 143.03 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -138.08 134.58 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.829 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -117.16 132.5 10.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 170.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.4 tp -139.93 140.68 36.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.346 . . . . 0.0 110.903 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -69.8 -163.62 4.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.495 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.05 118.71 5.63 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.27 . . . . 0.0 112.302 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -136.43 -65.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -140.7 80.74 17.76 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.532 0.682 . . . . 0.0 110.798 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -67.0 139.84 52.55 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 -174.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.27 -42.64 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -125.29 169.02 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.477 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 39.3 t -72.73 136.65 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -74.98 -9.46 58.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 77.7 p -75.65 -10.04 59.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -172.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.5 p -120.54 152.52 37.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.2 86.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.023 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.29 -40.04 93.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.477 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.17 -39.28 96.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.8 -44.71 93.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 110.865 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.97 99.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -69.51 -26.56 64.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -79.14 -20.94 47.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -87.06 62.59 7.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.406 ' HG2' ' HA ' ' A' ' 33' ' ' PRO . 69.0 mtm180 -136.74 157.03 47.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -175.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.7 p -127.3 143.3 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 176.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -113.45 129.93 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 88.4 mt -117.11 117.62 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.3 m -113.03 122.26 47.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -173.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.93 123.29 48.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 91.1 p -144.68 149.12 42.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.83 -175.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 78.2 Cg_exo -54.33 127.88 27.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.6 2.2 . . . . 0.0 112.31 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 43.7 tp -169.53 129.97 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 93.2 mt -106.45 -10.35 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -79.11 137.08 37.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -59.0 137.11 58.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 174.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -61.49 169.64 2.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -120.26 172.53 7.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -110.09 148.89 30.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -128.7 144.4 51.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -176.243 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.88 0.372 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -65.08 -24.91 67.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.2 mmm -69.38 -35.04 75.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.26 -30.24 67.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.9 t -74.89 -46.92 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.142 -178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.31 -39.2 92.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 174.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.16 -41.73 97.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -43.75 93.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.6 -40.45 96.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 175.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.4 mt -65.01 -35.96 82.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.55 -41.83 95.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.35 -40.0 93.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.93 175.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -67.32 -26.08 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 78.1 mtm -101.7 2.26 38.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -125.61 96.92 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.1 149.22 25.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.1 p -90.77 -1.94 57.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.0 111.219 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.96 -8.62 54.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -174.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.0 t -89.67 135.6 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.363 . . . . 0.0 111.182 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.7 t -95.35 126.27 40.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.4 t -107.68 119.97 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.163 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -122.69 135.88 54.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.48 136.6 48.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -142.82 109.27 5.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.28 -127.01 34.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.498 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.5 p-10 -97.94 5.26 49.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.808 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -116.09 170.46 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.3 tt -141.32 134.97 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -121.26 128.31 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.75 128.24 54.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -101.72 110.13 22.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.7 mtt -110.07 119.05 48.29 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.871 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HG2' HG22 ' A' ' 36' ' ' VAL . 90.4 Cg_endo -72.7 128.62 13.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 171.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -59.65 -26.96 65.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.49 -26.48 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -167.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.406 HG22 ' HG2' ' A' ' 33' ' ' PRO . 27.8 m -114.7 -15.12 10.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.4 m -95.51 -53.04 3.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -114.47 172.76 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.98 145.79 51.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 168.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -65.18 -23.98 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.2 p -108.2 -31.16 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.1 m -129.13 152.63 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -169.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.64 57.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.1 m -111.56 126.85 55.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.14 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 50' ' ' ALA . 28.1 tp -69.55 132.87 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.964 -170.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -86.19 157.89 55.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 169.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.59 -44.32 48.31 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.727 2.285 . . . . 0.0 112.376 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.34 83.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.57 -35.19 80.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.443 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' HA ' HD21 ' A' ' 45' ' ' LEU . . . -64.41 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.166 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.41 -48.23 80.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.3 m -66.83 -46.1 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.52 -32.49 74.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.9 m -65.18 -41.74 94.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.39 -40.18 98.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 174.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.49 -43.33 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 111.171 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.52 75.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 82.8 mtp -62.15 -18.48 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -99.37 -42.56 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.424 HD21 HD22 ' A' ' 138' ' ' LEU . 93.2 mt -66.67 -37.37 84.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.02 -45.53 94.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -82.61 -22.4 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -173.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -106.33 95.12 10.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.676 0.75 . . . . 0.0 110.882 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -76.48 179.62 6.23 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 55.02 35.24 24.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.6 m -127.45 134.87 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -174.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -103.18 138.27 40.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.421 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 60.2 t -109.23 126.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 176.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -118.55 114.95 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -108.27 118.64 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 92.0 mt -130.19 125.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.42 150.99 17.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.543 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 29.6 p90 -139.45 141.0 37.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 0.0 110.889 -179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.8 t -170.71 145.88 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.059 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -107.21 -53.7 2.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -167.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.7 p -76.38 -7.8 55.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -167.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 48.1 p -88.41 43.88 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.119 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.621 ' HA3' HD23 ' A' ' 82' ' ' LEU . . . 111.08 175.25 20.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 173.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.02 175.02 32.43 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -54.1 -46.8 72.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 -173.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.13 -45.46 94.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.621 HD23 ' HA3' ' A' ' 78' ' ' GLY . 55.6 tp -67.33 -37.22 82.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -63.99 -41.2 97.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -60.07 -39.12 84.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 173.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.61 -45.88 74.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.68 -41.6 99.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -62.33 -40.48 96.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.448 ' HB2' ' HA3' ' A' ' 112' ' ' GLY . 73.2 tp60 -61.66 -44.58 96.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.79 -46.8 70.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.965 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -68.09 -37.94 81.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.91 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 175.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.66 -32.54 73.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.856 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.6 m -66.86 -36.25 81.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.23 -47.26 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.06 97.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.2 m -60.36 -42.56 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.51 80.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.46 -42.64 99.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.958 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.441 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 91.0 mt -67.02 -39.9 84.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.6 m -60.01 -33.72 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -89.97 13.54 14.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.51 9.97 32.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 160.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 86.8 t -84.66 129.84 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 111.176 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -60.52 132.33 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.62 -28.76 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 79.0 p -69.16 -15.1 63.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -87.56 -13.99 41.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.913 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.421 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 83.6 mt -114.95 134.81 56.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 -173.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -133.77 129.19 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 170.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.8 p -122.97 149.46 44.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -173.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -139.87 142.54 36.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 172.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.448 ' HA3' ' HB2' ' A' ' 88' ' ' GLN . . . -92.2 114.93 4.68 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.553 172.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 82.3 mt -128.6 154.62 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.57 -165.03 27.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.48 173.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 75.0 Cg_exo -50.53 133.3 37.58 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.94 -65.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -129.72 79.61 73.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.692 0.758 . . . . 0.0 110.89 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.32 156.86 60.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 97.4 mt -88.22 -48.2 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -135.37 163.93 28.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 -178.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.736 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.7 t -65.29 140.06 58.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -175.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -75.82 -2.46 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 83.8 p -78.0 -8.57 58.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.8 p -118.7 156.43 29.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.195 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.74 95.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.37 -38.93 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.736 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -65.11 -39.23 96.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.526 176.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.03 -41.1 97.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.894 0.378 . . . . 0.0 110.927 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.51 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -71.45 -20.37 62.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.9 -35.47 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -90.17 89.91 7.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -140.09 149.81 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -175.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.12 130.47 73.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -118.9 133.11 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 5.1 mp -111.84 124.77 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 90.7 m -108.97 123.74 49.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 60' ' ' LEU . 36.5 mt -108.49 117.0 33.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -178.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 43.4 t -162.12 128.48 2.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.647 0.737 . . . . 0.0 110.951 -174.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.4 128.81 17.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.99 -12.95 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 50.1 mt 56.6 38.93 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -164.17 164.96 22.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -150.7 145.51 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -118.54 -49.53 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -172.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -172.03 161.56 5.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -149.03 138.89 21.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -155.01 164.99 38.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 175.309 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.87 0.367 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -60.94 -43.3 98.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.2 mmm -72.46 -30.39 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.803 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.9 -34.19 77.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.7 t -76.98 -45.73 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -65.2 -40.78 94.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.44 -45.88 92.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.34 93.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.73 -42.41 99.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.4 -40.85 93.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.7 -38.26 89.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.72 -40.86 96.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.85 -21.24 65.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.7 mtt -94.12 7.53 44.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -126.56 100.05 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 170.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.38 149.98 26.31 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.449 174.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.5 p -97.45 1.2 48.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 111.207 176.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.04 -6.09 34.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.3 t -93.98 134.13 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.913 0.387 . . . . 0.0 111.042 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.2 t -97.08 125.81 41.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -105.78 120.54 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.2 m -124.21 138.88 54.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -108.3 132.67 53.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 t -140.03 108.41 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.53 -124.95 30.39 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.46 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -93.95 -12.62 28.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -99.09 164.55 12.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.793 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.7 mt -128.75 131.17 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.114 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.68 123.48 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mp -107.43 127.34 53.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.91 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -101.4 110.49 22.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.9 mtt -111.22 124.38 32.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 -174.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -73.37 133.59 19.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 170.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -56.04 -31.45 63.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -58.22 -25.13 61.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -166.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -112.63 -14.98 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 -176.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.729 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 89.7 m -101.8 -54.17 2.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -123.08 -179.62 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -79.48 169.56 17.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 99.1 p -70.16 -27.62 64.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.4 p -125.86 -10.97 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.8 t -134.12 142.41 47.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 -170.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.543 ' HB3' ' HG3' ' A' ' 89' ' ' GLN . . . -79.15 60.76 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.088 171.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.4 m -105.5 118.59 36.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.2 174.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -64.73 132.38 49.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -169.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -95.0 160.21 31.44 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.593 0.711 . . . . 0.0 110.842 171.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -53.15 -48.74 20.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.328 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.729 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -69.26 -33.64 73.76 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 176.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.84 85.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -65.09 -44.22 89.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.4 p -71.75 -37.21 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -64.83 -33.78 76.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 174.379 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.1 m -65.42 -39.26 91.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 172.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.93 -42.07 98.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.04 -42.34 96.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 111.143 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.02 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.1 mtp -62.52 -21.99 65.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.3 t -93.28 -47.0 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.22 -40.13 86.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -67.19 -47.52 70.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -80.19 -25.2 39.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -172.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.04 87.41 28.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.671 0.748 . . . . 0.0 110.954 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.454 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 69.2 Cg_endo -70.16 177.15 6.15 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 94.6 mttt 70.18 19.07 6.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -177.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.1 p -123.87 148.35 46.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.66 139.13 50.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.97 132.17 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -113.12 122.9 48.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.12 116.85 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.0 mt -132.05 127.8 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.637 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -138.42 155.67 23.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -143.01 157.83 44.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.399 . . . . 0.0 110.902 -171.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.6 t -170.42 151.45 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.065 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -104.97 -62.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -169.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.6 p -81.46 -3.7 53.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -162.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.4 p -90.13 40.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.19 -160.78 19.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.84 -172.4 39.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.399 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -58.59 -55.06 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.71 -43.51 88.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.28 -39.98 89.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -175.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -62.92 -43.65 98.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.4 mtp -64.39 -35.73 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.12 -42.14 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.9 -39.43 93.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -63.07 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -63.49 -43.05 98.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.543 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 62.6 tp60 -69.67 -43.14 73.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -64.32 -41.29 96.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -64.41 -42.1 96.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 175.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -69.77 -31.9 70.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.3 m -64.55 -36.32 83.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.95 -45.17 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.125 171.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.57 99.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.055 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -58.8 -42.36 88.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.97 -44.35 93.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.34 -41.96 99.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.58 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.5 m -61.98 -33.23 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.04 -0.5 51.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.17 10.55 36.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.7 t -83.13 128.05 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 111.158 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -64.4 133.38 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.13 -24.42 64.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.1 p -69.57 -17.95 63.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -92.02 -6.77 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.7 mt -112.95 133.69 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -175.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -132.97 131.78 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 168.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.574 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 73.3 p -127.71 145.16 50.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -139.86 131.56 27.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.07 87.83 1.57 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.8 mt -109.95 153.48 24.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -69.85 -178.91 23.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -55.11 133.84 60.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.24 -51.25 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -132.74 82.51 55.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.843 170.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -52.0 118.84 4.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.245 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.9 mt -55.59 -52.11 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -141.67 162.27 35.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 -176.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.728 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.4 t -67.45 138.38 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -78.83 0.91 25.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.4 p -76.65 -6.8 53.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.4 p -119.01 156.26 29.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 173.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.42 96.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.121 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -65.82 -40.99 92.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.728 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.99 -40.42 99.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.48 -41.02 84.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 177.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.9 -47.27 78.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -64.39 -27.25 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -176.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -77.35 -20.99 54.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -90.13 72.24 7.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -139.04 149.58 44.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -171.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.637 HG22 ' HA3' ' A' ' 72' ' ' GLY . 93.8 t -125.59 133.09 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 174.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -116.4 135.0 54.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -175.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 85.6 mt -115.68 122.74 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.5 m -114.53 123.5 49.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -173.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.68 128.2 53.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.5 t -148.78 119.86 4.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -174.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.52 131.13 40.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.371 171.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 98.3 mt -122.82 -22.55 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 65' ' ' LYS . 50.7 mt 60.04 29.65 19.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -169.96 164.64 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -118.04 155.71 29.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -127.2 -55.24 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -177.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -174.85 151.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -149.92 179.72 7.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.785 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -152.29 165.05 36.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 177.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -178.287 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.6 -43.31 97.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.7 mmm -72.75 -29.72 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -67.2 -33.78 76.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.906 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.3 t -77.57 -45.38 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.84 -40.96 96.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.56 -41.96 99.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.895 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.96 95.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.03 -40.64 96.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.912 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.96 -37.45 87.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.83 -41.87 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.35 -40.38 93.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 174.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.01 -22.07 65.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.0 mtt -94.42 6.7 47.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -175.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -126.23 99.97 6.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.878 169.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.32 144.58 14.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.8 p -93.61 -9.38 38.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 111.212 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.88 -10.34 29.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.532 -175.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.5 t -90.21 131.34 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 176.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t -95.34 125.45 39.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.9 t -112.6 121.63 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.9 m -123.01 136.31 54.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -108.79 138.47 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -147.12 116.33 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.52 -126.34 41.87 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.524 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -99.5 10.8 40.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -122.09 171.7 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 tt -141.46 135.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.5 mt -119.95 126.97 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -104.94 124.2 49.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -104.13 116.05 31.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 74.9 mtm -122.68 132.81 24.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.691 . . . . 0.0 110.892 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.8 143.98 63.43 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.709 2.272 . . . . 0.0 112.394 173.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -51.42 -35.81 40.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.42 -25.59 67.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -166.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.32 -20.63 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 -170.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.2 m -103.08 -47.02 4.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -115.33 176.33 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.45 ' HB3' ' H ' ' A' ' 42' ' ' SER . 25.6 t0 -78.42 161.36 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.809 175.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.4 p -67.85 -25.63 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -176.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.0 p -128.29 -13.64 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 -175.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.45 ' H ' ' HB3' ' A' ' 39' ' ' ASP . 30.1 t -127.31 143.06 51.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -173.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.9 59.61 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 168.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.5 m -114.58 126.47 54.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 173.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.49 136.35 54.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -89.79 160.0 42.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 171.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -50.45 -44.0 41.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.751 2.3 . . . . 0.0 112.257 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.05 79.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.074 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.95 -37.96 60.3 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.421 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.25 83.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.55 -44.52 93.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.1 m -66.32 -40.18 89.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -62.84 -32.04 73.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 178.65 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.6 m -65.0 -40.22 94.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 172.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.97 -39.7 97.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.539 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.22 -42.28 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.18 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.51 -20.82 65.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.4 t -92.93 -48.61 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.6 -43.67 84.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.95 -47.26 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -80.61 -23.88 39.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -120.18 81.67 29.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.688 0.756 . . . . 0.0 110.879 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.464 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 41.3 Cg_endo -68.22 171.1 13.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.293 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 142' ' ' LEU . 95.8 mttt 67.57 22.58 9.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -169.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 140' ' ' PRO . 90.5 m -120.7 134.3 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.13 137.53 42.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 -175.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -108.45 128.56 63.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -118.32 125.34 49.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -108.7 116.63 52.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.5 mt -130.29 128.63 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.509 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -142.74 157.94 26.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -141.35 146.64 36.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 0.0 110.88 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -154.17 145.85 23.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.063 172.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -107.62 -46.76 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -173.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 81.5 p -68.32 -13.72 62.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -172.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.5 p -92.21 41.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -176.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.28 -167.68 13.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.473 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.53 177.46 51.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -54.95 -49.45 71.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 -173.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.85 -46.5 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -65.75 -43.21 89.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.877 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.1 ttm -57.63 -38.44 75.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.17 -43.35 82.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -60.84 -45.17 95.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.6 m -64.53 -35.95 82.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.92 -42.52 98.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 174.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -69.24 -41.32 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -61.57 -45.4 94.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.478 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -64.05 -42.79 96.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -69.99 -32.63 70.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.6 m -61.66 -41.54 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.42 -43.41 98.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.96 94.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -59.54 -42.44 92.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.21 92.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.81 -42.05 96.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.66 -41.11 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.04 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.5 m -63.31 -33.28 75.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -85.0 3.75 37.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.84 10.52 37.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 167.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -84.67 129.68 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.196 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -63.9 132.58 51.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.91 -23.54 65.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.5 p -72.06 -13.34 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -95.6 -5.23 43.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.2 mt -109.73 134.15 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 80.2 ttt-85 -134.99 122.12 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.957 171.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.478 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 73.7 p -122.09 148.08 45.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 -176.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.04 132.18 14.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.3 134.46 12.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.525 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 89.6 mt -130.95 146.9 52.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.954 0.407 . . . . 0.0 110.831 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.13 -166.27 28.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.473 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -58.98 135.83 69.3 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.97 -64.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -136.33 82.32 35.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.89 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -54.73 127.44 26.16 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.282 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.1 mt -55.15 -41.67 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.21 169.24 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.033 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.9 t -70.48 135.65 48.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -77.1 0.65 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.886 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.8 p -78.52 -7.31 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.9 p -119.07 153.74 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.2 94.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.107 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.39 -40.92 81.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.35 -39.86 98.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.89 -42.02 92.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.927 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.28 93.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -68.1 -28.36 67.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -75.03 -19.13 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.8 71.24 9.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -136.98 146.51 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.509 HG22 ' HA3' ' A' ' 72' ' ' GLY . 89.5 t -129.56 139.18 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 175.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -117.09 139.48 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -173.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.7 mt -114.56 126.56 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.9 m -109.72 124.78 51.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 81.8 mt -112.5 118.91 36.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.975 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.3 t -145.5 124.05 6.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.707 0.765 . . . . 0.0 110.89 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 72.6 Cg_endo -70.42 134.14 25.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.32 173.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt -120.91 -33.62 3.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 -176.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.518 ' HA ' ' HB3' ' A' ' 65' ' ' LYS . 40.0 mt 62.97 25.92 15.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.999 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -168.84 160.31 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -133.72 160.58 37.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.802 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -133.54 -46.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -164.69 144.05 7.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -144.33 176.45 9.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.821 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -154.79 169.45 23.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -176.707 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.874 0.369 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -67.46 -31.87 72.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.3 mmm -70.56 -32.82 70.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -69.27 -34.54 74.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 66.4 t -69.25 -45.05 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.75 -38.2 86.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.36 -42.1 98.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.41 -43.78 92.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.66 -41.29 98.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.934 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -64.68 -36.62 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -60.39 -41.37 93.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -66.12 -40.25 90.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.16 -22.54 64.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.2 mtt -94.02 7.81 43.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -176.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -125.92 99.95 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 169.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.38 145.49 18.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.53 177.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.8 p -106.71 -11.34 15.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.931 0.396 . . . . 0.0 111.231 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.02 -10.68 34.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -173.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.2 t -90.91 131.98 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 52.3 m -99.67 121.44 41.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.847 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -111.55 120.45 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.1 m -121.35 135.79 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -118.67 138.55 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.2 t -147.41 110.98 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.88 -116.51 9.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.445 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -99.99 -13.9 18.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -96.72 169.99 9.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -172.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 tt -142.36 136.01 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -113.44 121.77 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.8 mt -108.14 115.61 30.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 39.6 t-20 -104.13 109.93 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.3 mmm -105.75 137.85 19.45 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.939 -175.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -70.37 131.78 21.06 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.733 2.288 . . . . 0.0 112.312 170.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.407 ' HB2' ' HB3' ' A' ' 132' ' ' ARG . 96.8 m-20 -66.17 -33.7 76.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -172.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -63.78 -23.51 67.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -164.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.7 m -108.74 -8.53 11.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.419 HG23 ' HA3' ' A' ' 49' ' ' GLY . 89.7 m -107.38 -46.86 3.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 -175.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.3 165.56 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -80.43 165.03 22.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.846 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.7 p -74.01 -26.51 60.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.0 p -99.88 -30.65 11.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.824 -172.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.5 p -152.76 161.15 42.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -176.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB3' ' HG2' ' A' ' 89' ' ' GLN . . . -74.58 70.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.163 174.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.7 m -109.09 124.96 51.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.82 132.98 48.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -170.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.46 160.02 33.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.879 170.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -50.67 -42.76 49.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.75 95.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.419 ' HA3' HG23 ' A' ' 37' ' ' THR . . . -70.23 -37.78 71.69 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.439 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.84 85.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.33 . . . . 0.0 111.174 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -63.89 -41.69 97.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 83.1 m -65.16 -44.68 87.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.438 HD22 HG13 ' A' ' 94' ' ' VAL . 58.3 mt -65.6 -29.08 69.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.3 m -62.95 -40.08 96.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.217 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.83 -42.1 99.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.01 -46.21 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 111.146 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.19 -35.29 80.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 62.1 tpp -62.51 -31.79 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.2 t -80.44 -46.68 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.8 mt -64.05 -41.82 97.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -68.71 -46.5 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.021 -173.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -82.75 -24.47 33.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.806 -173.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -119.81 82.04 26.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.76 0.791 . . . . 0.0 110.863 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 47.6 Cg_endo -69.5 -178.15 2.11 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.486 ' HB3' ' HA ' ' A' ' 142' ' ' LEU . 96.5 mttt 64.9 21.94 12.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -169.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.8 m -123.92 132.34 53.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.45 138.0 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -111.61 132.75 59.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -121.42 132.29 54.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -114.7 123.7 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.2 mt -129.34 122.54 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -121.89 155.62 16.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 171.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -140.97 157.54 45.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.2 t -167.05 151.09 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.072 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -106.36 -58.58 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -170.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.2 p -91.51 5.85 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -160.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.5 p -94.84 40.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.581 ' HA3' HD23 ' A' ' 82' ' ' LEU . . . 118.54 -163.73 13.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.533 178.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -85.9 179.54 49.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.433 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -55.86 -50.44 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -43.91 91.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.581 HD23 ' HA3' ' A' ' 78' ' ' GLY . 59.5 tp -65.79 -40.1 91.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.38 -39.11 93.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.73 -39.2 90.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.46 -39.76 85.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.15 -38.04 89.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 173.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.6 m -65.75 -35.78 81.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' CA ' ' HA3' ' A' ' 112' ' ' GLY . 72.9 tp60 -64.1 -42.39 96.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.498 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 44.0 tt0 -64.88 -44.02 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 174.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -62.26 -45.09 94.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -65.01 -41.4 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -68.42 -32.1 71.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.8 m -62.02 -40.71 96.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.438 HG13 HD22 ' A' ' 53' ' ' LEU . 55.2 t -65.56 -45.78 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.04 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.0 m -61.13 -42.78 99.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.6 -45.51 90.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 108' ' ' ILE . 0.6 OUTLIER -63.0 -41.49 99.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.572 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.99 -39.99 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 176.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.5 m -62.36 -32.61 73.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -81.9 -1.07 46.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.56 12.14 31.41 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 169.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.1 t -80.95 129.77 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.41 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 62.9 t0 -62.93 135.49 57.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.77 -24.98 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.7 p -68.38 -18.96 64.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.41 ' HE ' ' HB3' ' A' ' 104' ' ' ASP . 75.0 mtm180 -93.96 -7.36 43.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 98' ' ' LEU . 64.5 mt -117.86 125.03 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -139.42 112.06 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 173.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.483 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 63.6 p -128.37 149.13 50.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -172.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -139.92 145.53 38.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 88' ' ' GLN . . . -89.96 118.88 5.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.0 mt -120.1 148.71 43.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.17 -170.71 41.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -62.37 131.47 34.2 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.643 2.229 . . . . 0.0 112.387 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.0 -64.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -174.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -132.71 81.26 59.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.661 0.744 . . . . 0.0 110.923 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.26 145.29 53.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.281 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.47 -50.18 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.23 163.59 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -175.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.647 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.2 t -68.01 141.96 56.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -73.32 -7.67 52.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.881 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -76.06 -7.04 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.0 p -118.41 155.51 30.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.37 95.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.116 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.2 -38.05 84.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.647 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.8 -39.81 98.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 178.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.54 -41.34 89.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 176.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.67 93.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -70.37 -25.44 63.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -78.88 -21.46 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.407 ' HB3' ' HB2' ' A' ' 34' ' ' ASN . 98.1 mtt180 -86.29 61.98 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -128.27 144.6 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.9 139.93 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.138 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -113.88 128.43 56.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.4 mt -115.8 119.49 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.6 m -111.95 124.1 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.9 mp -110.59 126.52 54.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.5 t -145.21 124.7 6.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.97 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.14 128.7 16.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.283 174.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.8 mt -119.28 -24.13 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -175.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.486 ' HA ' ' HB3' ' A' ' 65' ' ' LYS . 8.2 mp 58.08 30.4 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -176.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -167.96 165.05 13.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -149.45 143.38 25.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -121.52 -54.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -160.27 162.17 33.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -152.1 175.03 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 175.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -159.95 170.08 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.89 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -60.62 -44.74 95.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.93 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.2 mmm -72.16 -30.43 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.47 -33.64 76.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.1 t -78.74 -46.02 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.93 -40.28 94.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.66 -45.03 95.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.76 95.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.12 -41.9 97.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.78 -41.03 96.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -65.04 -39.68 93.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.98 -42.92 94.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.33 -28.53 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.1 mtt -100.57 4.43 43.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -127.29 97.78 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.798 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.46 152.57 29.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -90.46 -3.89 57.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 111.258 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.01 -3.05 64.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -172.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -92.87 134.06 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 111.187 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -93.09 127.77 38.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -106.6 120.05 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.3 m -121.77 136.18 54.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -110.75 139.46 46.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.1 t -147.4 116.39 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.8 -124.69 36.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -102.26 10.07 39.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -118.49 170.77 8.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 tt -141.77 135.24 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.6 mt -120.49 127.75 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.16 119.74 40.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -104.19 109.34 21.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.1 ptp -120.1 129.83 25.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.871 -174.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 133' ' ' ARG . 91.6 Cg_endo -74.4 143.84 31.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -56.17 -33.33 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.91 -28.37 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -166.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.31 -21.54 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -171.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 94.5 m -96.39 -52.07 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -115.68 169.52 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.86 144.84 56.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 169.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.3 p -65.11 -24.99 67.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -176.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.9 p -107.94 -20.5 13.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -173.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -138.31 145.01 40.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 -172.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 90' ' ' ARG . . . -72.01 57.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.069 168.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.5 m -112.43 125.2 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.73 132.48 46.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -169.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -92.05 159.71 37.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.866 172.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -51.91 -44.41 45.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.36 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.16 82.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.79 -35.95 73.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.67 85.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 111.199 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.35 -44.35 95.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.0 m -66.54 -42.93 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -64.67 -29.61 70.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.2 m -64.74 -38.23 90.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.37 -41.13 99.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.535 172.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.55 -43.29 98.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 111.156 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.11 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.014 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.5 tpp -58.78 -24.26 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 177.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -93.2 -48.29 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 -174.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.59 -37.23 71.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -67.93 -43.36 79.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 -175.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -81.06 -29.64 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -120.1 84.37 33.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.682 0.753 . . . . 0.0 110.892 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 58.3 Cg_endo -72.43 165.88 31.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.224 . . . . 0.0 112.316 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 89.1 mttt 71.8 32.94 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -174.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 140' ' ' PRO . 94.4 m -111.99 135.79 52.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.205 176.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB2' HD12 ' A' ' 141' ' ' LEU . . . -87.02 133.16 33.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 109' ' ' ARG . 67.4 t -115.85 124.94 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 -176.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -122.11 110.48 15.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.813 171.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.29 115.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.5 mt -131.04 122.13 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.1 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.579 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -120.07 161.27 14.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 171.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -146.05 150.31 35.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.89 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.1 t -171.05 149.62 2.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.078 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -117.91 -41.15 2.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.9 p -88.36 34.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -169.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.4 p -128.84 39.99 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.665 ' HA3' HD23 ' A' ' 82' ' ' LEU . . . 120.9 -157.54 15.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.527 178.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.93 -172.14 46.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.397 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -60.16 -54.98 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.906 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.79 -41.34 95.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.665 HD23 ' HA3' ' A' ' 78' ' ' GLY . 54.6 tp -65.99 -40.0 90.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.67 -38.81 89.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.3 mmm -72.43 -39.58 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.78 -37.14 81.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.1 mt -66.2 -39.89 89.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -62.28 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.9 -44.07 86.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -70.05 -41.67 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.417 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 91.1 mtt-85 -64.53 -41.16 96.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.77 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -70.1 -31.47 69.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -64.8 -35.15 80.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.98 -46.41 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.76 99.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.2 m -59.55 -43.58 93.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.46 91.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.066 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.69 -40.84 96.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.93 -40.18 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.035 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -62.92 -33.03 74.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -82.12 -0.06 42.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.34 11.21 36.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 170.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.8 t -85.26 127.34 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -59.54 133.57 56.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.14 -25.91 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.091 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.0 p -71.28 -17.37 62.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -92.67 -4.97 52.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 51.5 mt -116.38 131.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.424 ' H ' ' HB ' ' A' ' 68' ' ' VAL . 53.0 mtm180 -133.02 140.93 47.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.827 172.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.473 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 59.9 p -134.62 152.78 52.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -176.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -139.72 126.31 20.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 170.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.04 85.54 1.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.544 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.5 mt -101.63 155.87 17.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.84 -173.31 45.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.18 137.16 54.89 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.658 2.238 . . . . 0.0 112.443 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -129.83 -58.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -132.33 78.6 67.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 172.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.66 144.03 76.77 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.15 -54.48 14.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.495 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -137.47 160.36 39.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -175.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.651 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.4 t -67.18 141.48 57.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.0 p30 -74.4 -1.56 21.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.961 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.3 p -76.7 -7.65 55.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.3 p -117.78 154.09 32.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 172.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.26 94.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.12 -41.57 90.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.651 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -61.42 -39.37 97.19 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.523 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.99 -42.5 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.26 -44.0 89.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.01 -22.76 66.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -80.94 -21.54 40.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.73 71.28 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.403 ' HD2' ' HA ' ' A' ' 33' ' ' PRO . 39.9 mmm-85 -130.32 144.98 51.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -171.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.579 HG22 ' HA3' ' A' ' 72' ' ' GLY . 92.5 t -127.91 134.77 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 170.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -119.72 134.36 55.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.8 mt -112.35 123.66 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.2 m -109.3 121.94 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.108 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 51.0 mt -115.55 121.1 41.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 43.7 t -143.24 118.95 6.47 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 56.3 Cg_endo -70.77 134.24 25.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.617 2.211 . . . . 0.0 112.268 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 67' ' ' ALA . 99.2 mt -126.01 -13.86 6.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 65' ' ' LYS . 62.2 mt 60.7 31.61 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.011 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -166.96 166.41 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -150.5 143.69 24.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -119.99 -55.04 2.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.858 -173.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -159.83 163.94 34.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -161.7 -176.56 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -141.62 171.2 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 176.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -178.042 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -60.76 -43.32 98.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.8 mmm -72.68 -30.29 64.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -66.94 -33.65 76.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.5 t -76.98 -45.67 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.93 -41.27 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.78 -44.24 97.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.63 94.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.076 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.98 -42.0 98.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.5 mt -65.11 -39.14 92.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -59.93 -41.11 91.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.64 -40.64 95.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.97 -21.97 65.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.0 mtt -94.59 7.02 47.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -127.73 100.01 5.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.848 169.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.46 144.05 13.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 174.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.9 p -89.98 -8.65 51.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 111.191 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.08 -16.48 30.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.51 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.3 t -85.17 130.93 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.9 t -90.15 126.16 35.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -106.41 120.47 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.1 m -120.17 133.63 55.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -115.58 139.0 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -149.25 116.07 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.72 -123.26 32.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.498 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -102.09 9.51 40.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -119.36 170.97 8.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 tt -141.17 135.17 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.5 mt -115.59 124.95 72.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.7 mt -107.92 120.45 42.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -103.1 108.31 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.472 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 64.7 mtt -108.98 132.22 21.32 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 -170.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.482 ' HA ' ' HD3' ' A' ' 133' ' ' ARG . 34.0 Cg_exo -62.09 133.88 46.42 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.658 2.238 . . . . 0.0 112.395 174.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.46 -31.0 72.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 174.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.3 -23.94 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.403 HG22 ' HB2' ' A' ' 33' ' ' PRO . 23.2 m -114.25 -15.48 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.614 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 96.0 m -101.36 -50.56 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.059 -175.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -111.2 172.0 7.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' HB3' ' O ' ' A' ' 42' ' ' SER . 36.2 t0 -80.2 154.31 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 170.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.3 p -73.27 -24.38 60.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -106.43 -19.85 13.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -173.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 29.6 t -147.2 148.78 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -173.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.66 59.84 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 168.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.5 m -117.37 129.48 55.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.37 137.27 55.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -171.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.64 160.17 50.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.852 168.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -50.2 -46.07 30.41 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.614 2.209 . . . . 0.0 112.372 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.614 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -74.13 -38.44 47.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.434 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.97 84.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.204 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -66.02 -42.01 90.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -64.87 -44.18 90.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.229 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.1 mp -63.32 -34.56 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 176.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 83.4 m -65.54 -40.39 92.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 174.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.81 -41.51 96.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.82 -41.33 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 173.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.438 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -61.97 -37.24 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.6 mmt -64.36 -22.78 67.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.795 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.6 t -87.33 -44.04 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.89 -33.54 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -75.38 -40.99 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 -174.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -78.25 -30.73 48.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -123.03 77.78 51.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.684 0.754 . . . . 0.0 110.922 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 57.2 Cg_endo -73.12 -178.52 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.6 2.2 . . . . 0.0 112.313 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 88.8 mttt 72.33 34.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -176.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.6 m -126.19 138.36 53.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -93.77 136.68 33.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 -175.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.14 124.91 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.03 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -119.66 116.4 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 173.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.52 117.99 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.3 mt -131.66 125.67 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.423 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -111.48 151.5 17.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.559 173.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.446 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 46.4 p90 -136.47 141.74 43.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 t -171.4 148.54 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -111.65 -50.11 2.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.9 p -88.27 23.45 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -166.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.4 p -109.71 41.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.108 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.534 ' HA3' HD23 ' A' ' 82' ' ' LEU . . . 116.74 -162.45 12.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.36 -174.26 49.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -58.43 -54.45 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.68 -42.66 95.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.534 HD23 ' HA3' ' A' ' 78' ' ' GLY . 52.6 tp -65.93 -37.8 86.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -178.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -62.2 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 99.3 mtp -63.19 -40.47 97.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.59 -43.28 85.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.64 -39.16 93.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.0 t -61.68 -40.53 95.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.446 ' HB2' ' HA3' ' A' ' 112' ' ' GLY . 71.7 tp60 -62.06 -44.66 96.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.909 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.78 -44.32 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -65.53 -39.39 91.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.6 98.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.64 -32.98 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.8 m -63.75 -36.96 85.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.66 -47.2 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.099 173.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.95 98.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.5 m -58.05 -42.7 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.99 80.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 57' ' ' ALA . 98.3 mt -62.38 -44.05 97.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.9 mt -65.01 -40.78 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 m -63.63 -34.49 77.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -82.62 -0.3 46.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.11 11.91 24.91 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 167.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.1 t -84.74 128.12 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.145 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -57.96 124.6 19.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.14 68.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.5 p -65.67 -18.2 65.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 -170.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -95.33 -5.66 42.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -177.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 79.4 mt -109.47 131.43 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -132.23 134.81 45.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.2 p -122.54 149.27 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -139.63 130.21 25.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.786 174.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.446 ' HA3' ' HB2' ' A' ' 88' ' ' GLN . . . -85.36 91.86 1.73 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.517 172.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 72.4 mt -106.82 156.24 18.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.63 -164.75 29.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.446 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 34.0 Cg_endo -61.87 136.37 61.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.405 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.98 -64.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -130.73 79.54 71.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.614 0.721 . . . . 0.0 110.853 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -66.86 140.65 56.08 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.27 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.449 ' HB ' ' HB3' ' A' ' 130' ' ' GLN . 97.3 mt -65.69 -46.77 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -178.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.472 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -137.17 160.81 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.755 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 31.4 t -65.96 141.26 58.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.802 -175.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -76.11 -1.55 26.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -76.48 -8.6 57.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.2 p -120.3 156.97 30.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.39 94.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.24 -38.12 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.755 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.91 -37.96 94.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.596 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.04 -40.17 96.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 175.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.21 90.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.449 ' HB3' ' HB ' ' A' ' 119' ' ' ILE . 99.6 mm-40 -71.17 -25.85 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -65.1 -34.59 78.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.04 80.45 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.482 ' HD3' ' HA ' ' A' ' 33' ' ' PRO . 90.3 mmt-85 -137.82 148.51 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -173.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.423 HG22 ' HA3' ' A' ' 72' ' ' GLY . 79.9 t -125.85 137.44 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -116.59 136.96 52.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -175.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.0 mt -112.0 124.68 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.1 m -108.94 123.8 49.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -175.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 58.5 mt -110.55 120.09 41.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 47.1 t -155.21 118.19 2.43 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.763 0.792 . . . . 0.0 110.888 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.81 122.6 9.26 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.623 2.216 . . . . 0.0 112.311 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.32 -15.19 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 64.3 mt 55.04 41.57 31.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -159.95 164.26 33.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -127.56 143.26 51.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -175.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -134.93 -44.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -163.46 141.1 7.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.853 -175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.33 164.97 38.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -171.77 164.95 6.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 149' ' ' HIS . 85.9 t60 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -60.39 -42.84 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.9 mmm -72.37 -30.42 64.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.79 -33.42 74.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 72.0 t -76.51 -45.54 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.83 -40.89 95.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.64 -42.24 99.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.91 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.17 94.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.13 -41.07 97.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.77 -37.42 87.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -59.37 -41.99 90.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.4 -40.74 93.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 174.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.16 -22.66 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.877 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.0 mtt -94.6 6.78 47.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -175.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -128.31 99.57 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 168.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.59 151.46 28.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.586 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.2 p -91.43 1.85 56.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 111.153 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.23 -12.51 40.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.59 -173.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG21 HG21 ' A' ' 52' ' ' THR . 81.0 t -87.71 135.11 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.009 0.433 . . . . 0.0 111.097 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.8 t -92.71 126.07 37.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.8 t -107.87 120.38 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.6 m -123.29 135.28 54.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.21 139.46 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -144.54 109.24 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.54 -123.24 28.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.513 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -95.13 -5.15 44.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -109.66 168.57 9.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.0 tt -142.14 135.04 28.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.9 mt -119.71 127.84 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.5 mp -107.81 127.29 53.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -102.45 108.79 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.7 mtt -106.75 123.85 37.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.923 -171.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.422 ' HG2' HG22 ' A' ' 36' ' ' VAL . 84.4 Cg_endo -75.37 132.53 15.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 173.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.515 ' HB2' ' HB2' ' A' ' 38' ' ' PHE . 2.4 p-10 -59.64 -26.35 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 178.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.93 -27.76 65.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -168.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.422 HG22 ' HG2' ' A' ' 33' ' ' PRO . 33.9 m -119.94 -14.97 8.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.032 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.88 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 97.5 m -100.86 -52.2 3.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -175.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.515 ' HB2' ' HB2' ' A' ' 34' ' ' ASN . 77.6 m-85 -108.76 -178.5 3.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.657 ' HB3' ' O ' ' A' ' 42' ' ' SER . 39.9 t0 -77.58 161.83 27.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 167.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.2 p -74.18 -26.44 60.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.5 p -107.48 -26.05 11.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.799 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.657 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 96.0 p -144.01 159.89 41.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -170.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.564 ' HB3' ' HG2' ' A' ' 89' ' ' GLN . . . -75.99 61.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 169.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.1 m -108.75 119.38 39.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 170.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.45 136.97 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.62 160.35 39.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 168.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -51.58 -47.24 27.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.85 95.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.88 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -74.8 -38.13 42.96 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.419 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.04 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 111.114 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.87 -41.26 95.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.428 HG21 HG21 ' A' ' 19' ' ' VAL . 89.5 m -65.83 -42.48 90.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.225 175.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.74 -33.35 75.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.5 m -64.44 -39.88 94.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.219 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.4 97.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.492 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.09 -41.35 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.11 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.97 78.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.6 mtp -62.37 -20.6 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.2 t -94.82 -47.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.166 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.98 -38.97 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -63.12 -42.05 99.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.049 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -84.68 -28.24 26.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.772 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -109.21 92.36 11.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.699 0.762 . . . . 0.0 110.928 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.11 176.01 9.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.4 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 71.55 25.76 3.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 174.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.9 p -122.37 151.63 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 175.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -108.28 134.57 50.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.454 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 68.0 t -109.58 125.88 66.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 177.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -114.97 119.03 35.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -106.69 117.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.2 mt -132.62 128.45 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.83 152.61 17.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 172.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.444 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 44.8 p90 -137.56 142.9 41.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.908 0.385 . . . . 0.0 110.943 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.2 t -170.48 152.92 4.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -104.76 -63.8 1.18 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -167.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 99.1 p -90.82 3.94 53.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -161.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 47.7 p -88.8 41.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.49 177.03 15.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.22 -175.89 34.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -53.97 -51.18 64.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 110.993 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.31 -43.81 93.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.21 -35.54 78.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -66.08 -41.03 91.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 97.8 mtp -58.89 -39.4 81.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.32 -45.32 73.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.24 -42.25 99.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 174.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -61.19 -40.1 92.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -61.64 -42.38 98.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.564 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 40.0 tt0 -66.87 -48.51 68.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -66.46 -36.29 82.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.39 97.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.72 -32.66 73.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.8 m -63.09 -37.44 87.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.802 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.17 -48.87 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.184 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.08 97.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.048 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.1 m -58.26 -45.75 87.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.04 80.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.147 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.81 -40.55 95.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.17 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.3 m -62.22 -32.47 73.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.65 -0.68 48.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.34 9.9 30.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 169.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.88 127.79 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.136 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -60.95 131.4 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.06 -24.42 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.2 p -68.98 -14.26 62.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -90.3 -18.23 25.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.454 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 73.1 mt -122.53 134.56 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 -173.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -135.66 148.86 49.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 169.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.7 p -126.59 149.2 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -142.17 127.54 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 171.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.84 114.07 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 90.0 mt -126.18 155.45 41.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.38 -163.25 9.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.433 174.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 35.3 Cg_endo -62.99 137.4 62.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.8 -65.01 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -125.8 84.69 60.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -68.33 160.51 48.73 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.689 2.26 . . . . 0.0 112.311 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.0 mt -94.5 -45.28 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.616 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -142.09 163.53 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.594 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 37.8 t -63.31 137.32 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.771 -174.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -77.39 1.74 18.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.4 p -76.31 -7.28 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.9 p -118.56 156.58 28.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.253 173.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.69 92.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.12 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.52 -41.96 92.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.616 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.42 -44.18 97.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -60.36 -43.45 96.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.43 -48.83 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.6 -29.89 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -172.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -72.17 -18.15 61.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.4 ttp-105 -86.02 85.0 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 73' ' ' TYR . 90.3 mmt-85 -140.97 155.32 46.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -172.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.3 133.06 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 170.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -114.77 136.96 52.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.8 mp -113.36 124.74 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 87.3 m -107.73 123.33 48.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.094 -176.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.566 HD23 ' C ' ' A' ' 138' ' ' LEU . 6.5 tt -113.57 113.26 24.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 43.6 t -134.69 120.07 14.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 110.9 -173.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.96 122.84 9.46 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 94.9 mt -129.12 -14.31 4.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -176.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 39.1 mt 56.55 35.13 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.002 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -167.27 167.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.37 146.74 28.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -118.89 -55.4 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -175.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -163.87 161.15 22.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -159.38 -179.46 7.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.873 174.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -149.56 164.35 35.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 66.4 m80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -177.489 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -66.26 -24.95 66.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.7 mmm -69.39 -34.84 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.13 -30.63 66.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.67 -47.36 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.16 -39.46 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.08 -41.37 96.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.4 95.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.97 -41.55 98.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.78 -36.96 86.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -59.98 -41.62 92.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.17 -40.57 94.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.68 -21.49 65.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.1 mtt -94.78 5.81 50.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -175.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -125.71 100.04 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.943 169.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.39 142.32 11.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.509 174.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.1 p -90.03 -9.28 49.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.88 -11.98 29.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -175.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.5 t -94.39 131.68 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -92.32 128.39 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.3 t -104.86 121.4 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -121.5 137.07 54.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -108.67 133.78 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.6 t -143.07 109.23 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.39 -124.01 33.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.445 -176.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -99.46 7.57 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.822 0.344 . . . . 0.0 110.843 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -120.89 167.36 12.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.1 mt -127.45 133.65 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.8 mt -112.92 122.5 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.1 mt -106.66 116.05 31.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -102.3 108.68 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.8 ptp -122.85 128.84 25.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.953 -175.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.24 146.0 44.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.44 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -55.6 -29.19 58.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.834 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.81 -25.88 66.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 m -112.22 -19.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.2 m -108.74 -49.67 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -174.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.41 178.85 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.912 -174.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -67.78 167.61 13.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 166.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.7 p -62.52 -29.09 70.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -172.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.1 p -136.72 -11.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 -174.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -120.97 156.73 31.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 -162.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.04 51.29 2.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.5 m -112.81 125.08 53.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.81 140.46 53.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -84.64 158.41 59.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 165.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.42 -45.12 35.99 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.56 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.072 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.13 -38.36 59.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.96 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.204 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.39 -42.92 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.8 m -63.49 -45.15 92.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.0 mt -65.32 -29.64 70.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.5 m -64.77 -40.29 95.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 172.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.62 -39.73 96.94 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.98 -41.45 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.99 79.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.017 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.01 -21.99 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.6 t -92.27 -46.0 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.089 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.14 -40.6 94.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -66.26 -46.06 78.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.975 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -78.53 -25.67 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.76 85.64 28.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 73.8 Cg_endo -71.71 177.11 7.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 94.9 mttt 70.46 16.64 7.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.6 p -122.35 148.27 45.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.153 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.74 139.39 48.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.7 130.25 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 173.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -120.07 130.25 54.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.8 t -111.7 121.53 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.1 mt -128.34 121.8 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.42 151.72 16.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -144.15 149.6 36.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.938 0.399 . . . . 0.0 110.939 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 t -169.9 155.11 5.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 -174.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -110.28 -58.85 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 -170.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 p -89.5 15.78 8.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -165.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.1 p -109.09 35.22 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.041 172.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.425 ' HA3' HD23 ' A' ' 82' ' ' LEU . . . 113.55 -171.3 13.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.506 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -87.51 -178.25 48.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.433 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.56 -48.43 72.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 110.835 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.05 -47.84 75.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.425 HD23 ' HA3' ' A' ' 78' ' ' GLY . 63.0 tp -65.81 -40.25 91.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -66.98 -38.82 86.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.9 ttp -54.98 -39.02 68.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 170.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.57 -43.08 85.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.29 -39.15 89.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.0 t -60.84 -39.88 90.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.61 -42.39 95.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -68.3 -42.52 79.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.53 -37.5 87.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.42 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.23 -41.71 94.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.7 m -63.74 -41.4 98.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.86 -44.98 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.18 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.89 98.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -61.49 -43.79 98.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.08 90.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.1 -42.95 99.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.34 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m -62.94 -34.97 78.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -84.31 1.87 42.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.03 10.06 30.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 166.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.59 128.45 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.224 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.405 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 64.8 t0 -62.05 133.69 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.43 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.7 p -70.0 -19.22 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.405 ' HE ' ' HB3' ' A' ' 104' ' ' ASP . 76.5 mtm180 -90.91 -5.78 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.812 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 58.9 mt -106.97 125.18 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.178 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -135.24 114.65 12.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.1 p -128.91 146.78 50.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -136.86 145.53 44.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 171.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.38 102.16 1.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.3 tp -117.03 123.8 47.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.85 -167.61 23.65 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.35 129.38 33.74 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.669 2.246 . . . . 0.0 112.424 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.01 -48.87 2.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -134.63 96.73 14.8 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.69 0.757 . . . . 0.0 110.891 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -53.78 146.99 42.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.298 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.1 mm -86.89 -49.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.507 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -145.02 167.89 21.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.037 176.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.1 t -65.82 135.07 54.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -77.56 2.46 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.1 p -75.77 -6.95 53.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 175.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.7 p -118.64 152.86 35.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.152 172.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.16 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.6 -41.77 79.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.507 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -62.42 -38.98 97.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.509 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.6 -43.64 93.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.65 -45.54 75.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.29 -24.94 66.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.89 -20.26 63.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -90.21 80.09 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -136.77 151.49 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.3 t -127.45 138.2 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -118.48 130.24 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 81.5 mt -117.46 125.47 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.144 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 95.7 m -113.8 124.78 53.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -172.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 mp -107.37 122.85 47.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -144.34 121.0 6.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.711 0.767 . . . . 0.0 110.893 -171.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.92 132.64 50.88 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 171.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt -128.4 -22.35 3.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 35.2 mt 57.89 34.2 24.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -170.01 168.6 8.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -137.88 145.14 41.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.794 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -119.16 -55.05 2.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -168.8 160.87 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -150.47 175.93 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -157.47 166.4 33.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 149' ' ' HIS . 86.0 t60 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.899 0.381 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -65.01 -29.99 70.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -171.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.2 mmm -69.48 -35.11 75.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.26 -30.41 66.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -70.82 -49.32 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -63.87 -42.64 97.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 174.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -57.03 -44.42 82.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.8 -46.29 91.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.64 -42.25 95.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.974 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.29 -38.42 90.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -63.02 -41.03 99.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.5 -39.95 92.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.98 -27.86 68.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 77.5 mtm -100.72 -3.8 29.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -135.55 65.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 172.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.42 109.93 3.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.473 -171.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.8 p -126.39 -33.2 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 111.095 171.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.94 0.32 89.36 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -173.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.63 141.9 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 0.0 111.071 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -86.24 123.34 31.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.812 178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -104.95 123.7 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 -171.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.5 m -120.66 138.16 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.22 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -99.91 127.58 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.895 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.0 t -136.17 101.62 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.86 -124.67 31.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -173.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -98.81 10.13 41.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 174.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -109.11 160.38 16.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.15 129.7 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -111.33 119.39 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.499 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 86.2 mt -108.14 125.61 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -178.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -108.05 112.27 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 175.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.8 ttp -121.55 121.55 28.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.478 0.656 . . . . 0.0 110.876 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 59.2 Cg_endo -71.26 135.91 27.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.385 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -69.32 -39.99 77.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.813 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -73.6 -20.58 60.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -169.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.409 ' HB ' ' HG2' ' A' ' 33' ' ' PRO . 97.7 t -88.28 -29.54 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 76.2 p -112.31 -19.08 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -172.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.48 159.03 25.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 172.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 68.0 t0 -62.14 129.67 41.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 176.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.9 p -63.47 -21.46 66.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.2 m -88.32 -39.1 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.3 p -146.93 159.79 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -173.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.2 63.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.1 m -113.69 126.88 55.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 166.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.58 134.79 56.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 95.2 mttt -82.64 155.23 68.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.958 171.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.53 -42.86 59.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.634 2.222 . . . . 0.0 112.375 174.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.76 76.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.63 81.56 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.25 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.095 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.32 -43.75 90.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.3 m -61.14 -46.5 90.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.54 -32.24 73.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.0 m -64.72 -40.05 94.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.22 -44.48 98.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.453 173.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.0 t -57.36 -40.33 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.083 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.54 99.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.073 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.7 mmm -64.67 -27.94 69.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.821 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.7 t -80.66 -43.52 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.17 -32.63 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.98 -36.43 75.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.3 -29.96 66.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -114.27 80.9 6.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.65 155.47 62.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 68.11 40.52 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.8 p -127.81 162.6 26.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -109.44 132.29 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.62 127.01 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -118.22 123.11 44.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.3 t -113.41 123.12 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.08 119.76 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.68 143.37 16.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.556 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -144.24 154.98 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.947 0.403 . . . . 0.0 110.897 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.0 t -169.09 153.2 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.18 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.25 -57.69 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -178.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.5 p -84.72 -3.93 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 -162.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.9 m -44.63 -56.95 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.116 173.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.96 -115.18 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 166.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.45 173.3 45.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -176.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -57.14 -53.15 61.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.818 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.5 -41.49 96.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.0 tp -64.42 -43.74 93.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.79 -44.16 96.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.408 ' SD ' ' HA ' ' A' ' 113' ' ' LEU . 62.8 tpp -63.07 -44.17 96.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.976 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.37 -45.77 68.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -175.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mp -67.56 -39.37 84.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.9 m -62.75 -41.23 99.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.765 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.446 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 73.0 tp60 -67.6 -35.85 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -66.35 -39.08 88.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -64.29 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.711 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.14 -40.9 97.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -64.06 -37.4 87.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.5 m -65.97 -38.51 88.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.93 -46.46 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.148 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.67 98.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.5 m -60.08 -43.58 95.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.09 86.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.1 -41.43 99.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.97 -41.54 92.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.7 m -62.67 -32.93 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -85.07 1.6 47.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.33 12.07 40.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.598 166.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.1 t -84.73 127.23 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.775 0.321 . . . . 0.0 111.129 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -56.87 128.37 36.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.39 69.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.8 p -68.97 -18.21 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -92.36 -8.22 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.8 mt -106.23 128.36 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -173.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -130.52 124.37 31.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.711 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 55.2 p -125.76 149.1 48.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -175.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -145.26 128.43 16.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.835 173.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.446 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -90.87 133.25 11.7 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 167.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.408 ' HA ' ' SD ' ' A' ' 84' ' ' MET . 89.0 mt -129.4 149.88 51.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.969 0.414 . . . . 0.0 110.876 177.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.69 -157.7 6.89 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 165.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -63.95 124.0 12.84 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.602 2.201 . . . . 0.0 112.363 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.26 -45.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -140.56 81.95 16.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.917 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.32 142.55 73.3 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 47.0 pt -103.43 -20.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 -174.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -136.76 168.43 19.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.4 t -71.06 133.36 46.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -71.6 -15.33 62.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.5 p -80.15 -6.13 57.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 90.4 m -114.45 139.64 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.85 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 -174.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.2 -39.99 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.3 -46.3 79.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.549 -175.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -65.13 -32.13 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.831 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.31 96.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.1 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -69.4 -26.86 64.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.1 -11.98 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.784 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -87.42 81.48 7.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 171.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -143.65 147.4 34.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -169.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.78 139.51 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -113.67 132.32 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.499 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 4.9 mp -117.3 122.15 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -111.23 125.58 53.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.201 -176.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.475 HD23 ' C ' ' A' ' 138' ' ' LEU . 6.6 tt -107.96 115.46 30.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.9 t -136.98 118.24 11.05 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.725 0.774 . . . . 0.0 110.849 -175.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.07 134.82 65.87 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.663 2.242 . . . . 0.0 112.438 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 57.5 tp -161.61 125.49 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.929 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 89.4 mt -95.97 54.73 1.51 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -170.07 130.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.97 144.82 39.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -157.12 142.8 17.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -130.65 77.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.835 -176.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -79.55 -59.91 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.13 159.85 40.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.927 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -66.91 -24.28 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.5 mmm -70.55 -32.86 70.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.52 -27.85 65.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.64 -48.31 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.71 -39.83 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.09 -41.38 98.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.18 -41.83 97.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.0 -37.1 86.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -60.66 -41.82 95.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.59 -40.5 95.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.4 -22.9 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.1 mtm -95.35 3.0 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -79.84 90.04 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.2 -179.56 50.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 177.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.7 p -87.1 -14.79 40.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.814 0.34 . . . . 0.0 111.105 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.21 -13.55 44.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.519 -171.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 87.7 t -88.93 134.7 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 178.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -96.73 123.54 40.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.9 t -105.24 122.33 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.7 m -119.91 136.0 54.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -103.34 132.73 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 171.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.3 t -141.1 102.76 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.23 -124.03 29.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.5 -171.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -99.56 1.22 43.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.741 0.305 . . . . 0.0 110.92 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -110.12 166.09 11.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -173.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.79 131.93 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.6 mt -117.39 121.81 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.4 mt -108.67 122.23 46.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -110.04 114.04 27.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.1 mtm -113.0 130.3 23.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.52 0.676 . . . . 0.0 110.858 -176.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -73.88 143.41 33.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.313 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -53.55 -40.08 65.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.32 -20.06 65.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -170.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.5 t -104.38 -26.69 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 -175.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.0 m -90.12 -51.24 5.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -171.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -116.63 153.17 32.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.8 146.53 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -67.6 -25.91 66.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.1 p -89.46 -15.78 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -168.41 145.32 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.51 63.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 170.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.7 m -111.84 133.59 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 164.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.33 135.08 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -172.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -79.08 154.94 77.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.546 0.689 . . . . 0.0 110.84 171.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 -40.07 66.41 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.364 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.12 -31.0 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.13 -36.85 44.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.488 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.32 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.041 175.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.42 -40.55 97.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 177.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -62.7 -44.28 96.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 mt -67.3 -28.06 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.2 m -64.04 -40.61 96.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 170.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -62.26 -38.79 96.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 172.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.17 -44.46 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 173.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.4 88.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.45 -22.27 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 55' ' ' GLY . 93.6 t -94.57 -45.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.195 -175.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.03 -33.78 76.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -71.92 -35.89 69.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.38 -31.26 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -119.97 83.68 31.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.675 0.75 . . . . 0.0 110.904 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -67.13 -15.67 47.02 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.627 2.218 . . . . 0.0 112.391 -175.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -92.58 26.31 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 p -124.57 151.02 45.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' HB2' HD13 ' A' ' 141' ' ' LEU . . . -115.94 148.59 39.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.079 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.67 131.31 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -117.62 120.22 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.2 t -106.3 117.52 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.4 tt -127.16 127.24 69.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.48 142.91 15.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -147.51 149.76 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.974 0.416 . . . . 0.0 110.984 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.4 p -135.28 147.37 49.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 166.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 131' ' ' ASN . 3.5 m-20 -138.77 18.43 2.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 -170.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.9 p -89.12 -62.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -172.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -162.32 -176.77 5.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 172.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.05 167.74 30.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.432 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.11 129.57 40.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -54.41 -46.55 73.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.23 -46.12 90.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.0 tp -64.99 -40.24 94.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -62.58 -51.28 67.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.8 ttm -47.85 -45.31 29.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 171.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.17 -45.98 89.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -174.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.15 -38.26 90.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.956 173.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.9 m -62.62 -39.54 94.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.79 -39.29 91.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -68.98 -47.8 64.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -175.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -65.97 -35.06 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.35 95.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.075 175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -67.28 -34.07 76.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m -64.05 -39.63 94.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.41 -42.9 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 173.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.77 85.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.7 m -61.23 -43.09 99.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.25 94.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.104 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 69.1 mt -59.71 -43.27 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.51 -40.83 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 175.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.9 m -64.02 -32.19 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.79 7.51 23.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 -177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.9 8.9 57.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 170.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.34 128.43 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 111.098 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -57.9 124.79 20.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.85 70.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.5 p -70.11 -19.04 63.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -90.46 -4.75 56.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.1 mt -102.33 134.14 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 -175.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -127.05 133.19 50.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 170.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.6 p -114.38 140.07 48.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -140.13 154.0 46.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.3 144.54 12.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 113' ' ' LEU . 2.6 pt? -152.57 160.79 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 177.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.2 -156.84 19.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.602 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -49.24 125.12 12.89 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.761 2.308 . . . . 0.0 112.272 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.08 -67.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -132.28 119.66 16.65 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.628 0.728 . . . . 0.0 110.936 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.84 146.17 41.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.6 mt -100.19 -46.1 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.15 168.0 16.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 174.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 t -67.58 133.22 49.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -174.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.7 -6.65 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 p -74.18 -9.3 58.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.8 p -121.4 153.39 37.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.183 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.65 81.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.72 -42.18 86.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.55 -40.3 97.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -60.95 -42.31 97.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 0.0 110.964 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.63 99.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -68.4 -25.8 65.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.437 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 94.3 m-20 -76.94 -16.72 59.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -90.36 84.55 6.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.89 155.55 48.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -175.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.9 t -123.53 136.08 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 171.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -117.02 130.03 56.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -169.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.1 mt -117.76 123.28 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.9 m -114.77 124.35 51.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.065 -173.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.15 121.56 45.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 91.5 p -147.16 149.15 34.27 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.646 0.736 . . . . 0.0 110.766 -173.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.31 135.14 59.55 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.638 2.226 . . . . 0.0 112.381 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.418 HD13 ' HB2' ' A' ' 67' ' ' ALA . 47.4 tp -70.71 89.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 -178.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 77.4 mt -122.47 -1.81 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -159.74 169.09 24.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -148.57 142.15 25.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -142.96 178.9 7.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.814 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -164.91 113.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -165.04 114.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -111.56 -32.44 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.814 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -174.844 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -66.53 -24.39 66.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.999 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.8 mmm -70.16 -32.71 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.67 -27.81 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 81.6 t -79.7 -48.37 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -177.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -64.38 -40.41 95.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.75 -41.06 97.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.19 97.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.29 -41.28 96.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.14 -36.92 85.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -60.86 -41.83 96.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 178.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.89 -40.3 94.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.997 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.2 -23.09 65.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.4 mtm -95.27 3.4 54.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -79.72 89.94 5.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 171.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.86 179.44 51.65 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.2 p -80.22 -14.89 58.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 111.128 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.89 -14.46 45.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.507 -172.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.9 t -84.99 133.12 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 111.047 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -97.76 125.4 42.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.6 t -103.51 119.97 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.078 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -122.01 139.56 53.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -107.18 131.18 54.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 173.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -136.24 100.28 4.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.764 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.08 -127.71 35.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 -171.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.73 0.6 56.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 174.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -96.98 151.94 19.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.1 mt -122.46 124.39 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.3 mt -121.07 124.94 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mp -106.04 130.16 54.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 175.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -109.41 116.06 31.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 28.2 ttt -120.23 127.6 26.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.856 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 32' ' ' MET . 73.4 Cg_exo -54.9 138.74 78.24 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.289 -177.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -64.78 -32.99 74.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -69.48 -16.73 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -113.51 -6.52 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.8 m -95.86 -44.73 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -121.04 153.81 36.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.436 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 8.4 t70 -67.19 145.94 54.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -66.84 -24.42 66.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.5 p -93.16 -16.87 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -161.25 141.58 10.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.79 60.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 168.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.5 m -111.65 131.12 55.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 168.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.68 133.37 53.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -170.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 96.1 mttt -79.85 157.05 74.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.521 0.677 . . . . 0.0 110.858 172.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.96 -40.56 58.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.64 -33.49 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.84 -37.66 43.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.562 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.94 89.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.074 175.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.03 -41.93 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -62.27 -45.42 93.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 175.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.6 mt -64.83 -32.31 73.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 178.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.3 m -65.65 -39.97 91.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.44 -40.74 94.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 171.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.88 -40.66 87.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.773 0.321 . . . . 0.0 111.077 172.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.23 -40.84 78.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.9 mmm -63.81 -23.56 67.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.5 t -91.6 -45.08 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.226 -173.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.47 HD23 HG13 ' A' ' 103' ' ' VAL . 48.0 tp -63.51 -33.88 76.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.58 -40.66 95.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 177.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.74 -35.97 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -120.06 80.01 26.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.731 0.777 . . . . 0.0 110.843 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.15 -6.11 18.44 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.599 2.199 . . . . 0.0 112.351 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -92.21 17.1 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.4 p -122.7 158.43 30.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HB2' HD13 ' A' ' 141' ' ' LEU . . . -116.08 144.88 43.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.126 177.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.03 123.0 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -116.74 115.4 25.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 175.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.38 125.01 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.52 131.46 72.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.22 144.84 15.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 172.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -149.98 159.84 44.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.009 0.433 . . . . 0.0 110.92 -175.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.1 m -139.94 139.45 36.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.182 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -138.32 17.06 2.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.833 -169.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.2 p -89.35 -60.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -176.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -161.47 -179.77 7.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.12 173.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.23 161.92 26.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.487 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.0 135.48 37.47 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 115' ' ' PRO . 81.2 t60 -54.8 -47.14 74.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.06 -49.65 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.17 -40.73 94.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -63.83 -50.26 69.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.4 ttp -49.97 -41.66 47.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 172.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.45 -45.99 81.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.83 -36.54 79.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 172.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 m -65.25 -38.82 91.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -60.35 -38.28 83.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 173.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -67.28 -40.68 86.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -57.6 -43.89 85.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 173.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.638 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -60.83 -44.96 96.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.08 -41.66 92.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 m -64.08 -39.34 93.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.15 -48.83 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -60.14 -41.75 93.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.4 m -59.54 -47.24 86.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.05 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.35 -47.84 84.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.912 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.27 -40.32 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.1 m -62.99 -35.14 79.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 175.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -84.99 9.96 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.01 7.67 59.56 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 167.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.47 HG13 HD23 ' A' ' 60' ' ' LEU . 96.3 t -79.66 128.48 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 111.11 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -52.59 119.07 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.13 71.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.5 p -71.0 -17.72 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -174.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -94.55 -8.7 37.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.4 mt -92.81 133.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -126.96 129.89 49.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 164.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.638 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 69.1 p -121.7 140.92 51.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.187 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -137.75 152.06 48.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.24 131.48 5.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.39 170.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.8 tp -142.64 141.47 31.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.08 -161.63 5.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.535 176.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 80' ' ' HIS . 78.9 Cg_exo -50.46 127.97 22.0 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.738 2.292 . . . . 0.0 112.364 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.96 -67.37 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -133.54 116.54 13.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.968 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.56 148.72 67.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.595 2.197 . . . . 0.0 112.372 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.0 mt -97.35 -49.15 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.54 168.68 15.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 172.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.5 t -65.72 132.57 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -171.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -74.45 -5.31 41.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 176.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 74.4 p -74.91 -9.03 58.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 59.7 p -121.13 155.14 35.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.25 87.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.035 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.29 -42.37 88.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.43 99.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -62.36 -42.81 99.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.91 95.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -72.96 -21.12 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -175.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -74.54 -16.2 60.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -90.18 83.51 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -128.05 160.72 31.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.787 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 99.4 t -121.55 139.97 47.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 170.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -114.93 130.06 56.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -167.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 85.5 mt -113.71 119.57 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 173.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.8 m -113.0 125.01 53.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -175.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 58.4 tp -111.92 123.06 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.2 p -147.05 149.81 36.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.25 136.82 69.71 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.612 2.208 . . . . 0.0 112.415 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 67' ' ' ALA . 51.5 tp -79.71 93.22 5.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.97 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 81.5 mt -115.96 -12.2 11.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -162.91 165.01 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -177.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -119.83 126.51 51.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -158.08 162.1 38.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -165.0 115.0 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.725 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -165.93 140.34 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -139.99 -35.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 84.6 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.81 -177.343 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -65.4 -24.84 67.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.4 mmm -69.57 -34.95 74.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.92 -29.96 67.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.3 -46.94 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.048 -178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.46 -39.17 91.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.82 -41.6 97.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.13 95.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.69 -40.8 98.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.99 -36.48 84.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -60.81 -41.67 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.21 -39.82 93.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 174.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.53 -22.9 64.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.5 mtm -94.92 3.87 54.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.933 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -78.93 89.99 4.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 172.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.31 -176.51 51.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.7 p -88.87 -14.95 35.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 111.172 176.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.61 -11.26 53.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -171.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.9 t -89.68 133.56 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.6 t -97.47 123.77 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.08 123.4 62.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.3 m -120.39 135.93 54.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -101.6 128.16 48.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 172.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -137.0 103.4 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.94 -122.46 24.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -172.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -96.23 -9.04 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.322 . . . . 0.0 110.898 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -103.5 167.3 9.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -171.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.3 mt -122.04 134.04 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.5 mt -113.24 121.73 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 176.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 58.9 mt -107.16 123.51 48.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -107.4 109.24 20.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 89.2 mtp -111.18 138.35 21.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.527 0.68 . . . . 0.0 110.879 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.37 132.4 19.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.296 171.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -63.17 -26.51 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.822 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -58.76 -28.3 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 -167.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.4 m -110.36 -7.57 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -172.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.4 p -96.31 -51.84 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -151.19 172.04 16.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -92.66 117.33 29.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.1 p -52.14 -24.84 7.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.5 m -64.56 -42.77 95.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -161.84 139.09 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.88 80.68 1.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -168.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.5 m -105.41 122.67 46.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 166.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.13 127.49 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.77 157.9 51.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.528 0.68 . . . . 0.0 110.855 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.03 -44.12 52.82 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.57 86.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.09 -36.02 64.26 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 176.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.58 87.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 111.102 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.59 -46.82 84.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.4 m -69.11 -42.22 76.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.86 -34.76 79.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.983 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.8 m -64.36 -37.55 87.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 171.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -59.83 -39.31 95.25 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 172.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.25 -41.44 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 172.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.03 88.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.33 -22.14 66.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 55' ' ' GLY . 84.9 t -87.85 -43.55 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.61 -35.47 80.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -71.62 -36.12 70.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -72.67 -34.97 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 176.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.01 79.97 42.49 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.693 0.759 . . . . 0.0 110.924 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.01 -8.21 22.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.234 . . . . 0.0 112.371 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -90.2 12.31 18.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.4 p -121.41 152.11 39.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.18 151.81 34.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.46 131.17 64.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -120.1 115.18 23.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 172.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.8 t -113.09 124.1 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -176.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.5 mt -124.08 124.94 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.87 140.2 15.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -159.53 164.77 34.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.937 0.398 . . . . 0.0 110.939 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.8 p -130.62 151.12 51.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.099 171.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 118' ' ' PRO . 0.7 OUTLIER -138.31 22.53 2.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -173.606 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 98.0 p -91.25 -60.55 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -161.11 -177.0 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.184 169.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.66 161.44 24.06 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.434 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.01 138.74 39.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -55.0 -47.38 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.01 -47.5 80.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.09 -42.93 96.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.67 -45.27 90.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 60.5 ttm -54.46 -42.37 70.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.09 -42.78 93.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -177.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.17 -37.28 82.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 172.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.5 m -68.25 -34.54 76.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -60.86 -36.71 79.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 176.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.04 -40.53 96.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -63.09 -41.56 99.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.51 85.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.52 -40.79 96.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.4 m -65.07 -42.1 94.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.1 -47.02 86.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.01 96.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -61.94 -43.87 97.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.77 86.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.079 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.18 -42.14 98.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.915 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.61 -40.57 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.8 m -63.14 -32.79 74.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -86.1 7.31 25.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.98 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.5 9.94 56.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.498 167.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -83.59 129.62 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.912 0.387 . . . . 0.0 111.107 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -57.71 125.54 23.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.06 -26.75 64.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.096 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.5 m -65.85 -26.36 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -89.58 -6.02 56.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -176.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.7 mt -102.07 130.28 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -174.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -127.57 129.88 48.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 166.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.7 p -128.28 147.57 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.166 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -147.33 141.46 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -114.87 128.02 7.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.1 mt -130.07 156.49 44.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.948 -175.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -73.53 -165.63 10.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.61 167.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -48.28 127.04 14.74 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.98 -68.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -127.99 101.31 22.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.879 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.508 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 98.7 Cg_endo -78.25 163.45 27.63 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.278 177.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.4 mt -96.84 -47.48 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.565 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -137.83 170.05 16.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.083 -174.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.7 t -64.86 138.13 58.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -174.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.13 -4.91 41.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.8 p -76.26 -8.15 56.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.2 p -119.14 152.89 35.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.33 90.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.86 -41.63 91.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.565 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -64.86 -40.56 97.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -60.79 -43.57 97.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.985 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.18 97.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -70.81 -29.85 66.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -173.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -73.97 -6.85 49.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -169.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -84.91 84.81 7.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 172.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -127.5 145.22 50.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.754 -167.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.78 139.93 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 173.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -114.35 131.14 56.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -170.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.42 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 88.1 mt -117.7 120.24 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 173.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.3 m -110.85 124.33 51.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 83.2 mt -113.98 118.33 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 175.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 89.3 p -142.59 147.8 44.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 -173.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 52.9 Cg_exo -54.94 139.07 79.13 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.691 2.261 . . . . 0.0 112.298 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 44.0 tp -74.97 110.4 9.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.893 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.7 mt -106.67 -18.88 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -165.66 160.05 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -150.88 139.43 20.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -160.09 161.15 33.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -164.97 115.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -163.68 137.56 5.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -130.9 -40.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.789 -177.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 -176.4 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -65.19 -24.83 67.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.012 -177.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.2 mmm -69.81 -34.87 74.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.897 176.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.03 -30.05 67.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.0 t -74.94 -47.5 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.03 -39.57 93.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.98 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.97 -41.61 98.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.32 95.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.47 -41.03 98.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 175.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -64.91 -36.91 85.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.61 -41.62 95.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.936 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.95 -23.17 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.9 mtm -95.51 4.95 52.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.852 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -78.2 90.0 4.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.15 -178.24 51.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.1 p -82.45 -17.71 44.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.341 . . . . 0.0 111.126 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.43 -14.2 50.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 -170.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -91.22 135.09 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 111.072 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 t -96.87 116.22 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -104.73 121.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.116 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.2 m -122.54 137.41 54.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.161 -174.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -98.92 126.69 44.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 172.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.5 t -136.14 102.93 5.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 -175.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.98 -124.68 28.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.547 -171.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -95.31 -4.76 44.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -109.02 166.36 10.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -128.08 132.37 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.5 mt -118.22 126.07 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.17 114.23 27.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.984 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -111.09 118.98 37.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.9 ptp -121.17 145.64 42.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.579 0.704 . . . . 0.0 110.881 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.54 145.6 37.81 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.306 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -57.27 -35.06 69.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.21 -25.83 68.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -163.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -108.17 -14.88 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.1 m -101.37 -48.94 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -168.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -122.68 152.14 40.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.417 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 66.1 t0 -65.09 133.97 52.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.754 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.9 p -66.29 -20.9 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.9 m -85.44 -26.68 26.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.3 t -163.12 150.22 12.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -177.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 90' ' ' ARG . . . -71.57 66.27 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.9 m -119.09 135.25 54.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 167.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.85 132.47 48.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -173.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 98.3 mttt -77.96 155.23 80.31 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.571 0.7 . . . . 0.0 110.793 170.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.85 -40.55 57.4 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 174.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.88 -33.1 74.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.73 -38.12 61.12 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.74 85.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 111.056 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.37 -43.03 98.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -62.74 -43.19 99.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 175.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.86 -33.35 75.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.7 m -64.75 -42.05 95.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.503 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -60.45 -41.61 98.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 173.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.0 t -62.03 -39.91 85.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.08 92.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.0 mmm -64.23 -24.9 67.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 55' ' ' GLY . 87.5 t -87.66 -46.3 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.176 -176.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.64 -35.48 80.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -57.06 -35.0 68.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -71.15 -25.26 62.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -122.79 83.95 49.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.679 0.752 . . . . 0.0 110.906 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.15 -10.03 27.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.408 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.73 5.19 49.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.6 p -119.98 156.19 31.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.38 158.24 26.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.86 127.49 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -123.09 113.51 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -110.15 124.97 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -174.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.3 mt -123.42 125.82 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.99 139.47 14.55 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.516 174.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -151.84 150.46 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.962 -176.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.6 p -134.99 150.0 50.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 169.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.69 20.11 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -173.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.0 p -88.84 -59.91 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -173.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -163.69 -178.51 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 170.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.77 162.47 25.93 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.7 136.21 38.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -55.03 -47.26 74.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.44 -47.51 83.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 -175.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.89 -42.85 94.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.19 -46.49 86.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.403 ' HG3' ' HA ' ' A' ' 113' ' ' LEU . 51.6 ttm -54.96 -42.8 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 173.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.73 -44.17 91.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.59 -37.48 86.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 172.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 m -63.61 -39.9 95.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -64.99 -37.98 89.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.945 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 43' ' ' ALA . 37.8 tt0 -63.85 -51.08 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.43 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 13.0 ptp180 -65.21 -31.16 72.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.5 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -61.58 -44.55 96.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.078 175.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.82 -35.62 81.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.6 m -64.22 -40.1 95.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.45 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.49 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.8 m -61.19 -46.03 92.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.7 89.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.061 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.96 -42.45 98.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.02 -41.3 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.0 m -63.14 -33.01 74.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -85.85 8.96 18.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.03 10.15 57.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 166.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.5 t -81.73 129.49 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.352 . . . . 0.0 111.186 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -54.37 123.35 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.02 -28.43 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.4 m -68.39 -25.02 64.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -91.89 -8.5 46.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.5 mt -95.13 129.27 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -177.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -127.64 130.01 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 166.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.5 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 80.3 p -128.03 140.72 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.226 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -139.95 150.0 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.06 134.99 8.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.403 ' HA ' ' HG3' ' A' ' 84' ' ' MET . 2.9 pp -142.86 158.06 43.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 178.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.98 -158.63 29.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.574 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.73 127.18 18.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.338 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.02 -65.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -132.29 115.89 15.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.22 154.99 37.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 83.7 mt -100.03 -50.06 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.43 168.25 14.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.6 t -66.67 133.59 50.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -174.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -75.45 -3.67 35.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.9 p -74.89 -9.54 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.05 0.452 . . . . 0.0 110.918 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.5 p -119.51 153.87 34.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.89 85.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.54 -43.13 86.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.82 -39.2 97.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -61.01 -44.22 97.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 0.0 110.953 177.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.32 98.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -68.09 -21.98 64.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 -175.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -82.14 -4.3 56.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -174.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -97.79 99.4 10.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -135.02 154.79 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -169.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.9 t -125.43 135.01 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 169.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -117.08 129.87 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -171.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.77 120.48 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 173.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -111.79 119.22 37.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.8 tt -113.43 116.0 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.8 p -151.42 154.18 33.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 0.0 110.782 -169.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.99 133.55 52.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.282 177.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 46.3 tp -73.76 90.25 1.85 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -178.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 78.8 mt -121.83 -4.27 9.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -156.44 168.33 27.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -176.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -155.35 137.76 14.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -145.94 -180.0 7.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -155.11 121.16 5.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -165.06 114.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 175.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -123.53 -8.69 8.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -177.423 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 38.9 p90 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -63.69 -32.35 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.4 mmm -72.52 -31.82 65.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.35 -30.78 68.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.872 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.14 -46.5 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.54 -38.54 89.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 175.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.45 -44.55 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.42 93.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.12 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.17 -37.83 88.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.997 -178.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -64.22 -39.49 94.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.09 -40.22 94.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.17 -24.22 65.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.5 mtm -94.99 4.13 54.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.858 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -77.36 89.98 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.91 -178.46 50.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.9 p -87.27 -15.02 39.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.345 . . . . 0.0 111.12 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.3 -13.41 48.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.532 -171.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.3 t -91.99 135.07 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 t -97.87 126.36 43.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -106.26 121.98 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.2 m -119.94 134.76 55.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -103.32 128.15 50.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.7 t -137.31 102.07 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.97 -122.78 24.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.545 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -97.34 -10.0 26.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -98.99 168.03 10.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -172.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.4 mt -120.0 129.89 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.223 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.1 mt -117.12 120.21 64.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 57.5 mt -108.91 126.19 52.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -106.95 112.77 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.1 mtp -112.48 134.23 21.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.499 0.666 . . . . 0.0 110.897 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.83 145.24 31.88 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -51.8 -34.73 41.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.819 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.71 -25.35 68.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -165.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 m -109.25 -16.63 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -169.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.0 p -90.2 -59.64 2.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 -174.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -132.38 162.26 31.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -88.79 147.53 24.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.806 -174.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.6 p -64.0 -23.49 67.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.4 p -89.56 -28.04 19.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.794 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 t -160.52 141.59 12.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.21 66.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.3 m -113.44 127.66 56.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.125 168.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.26 133.13 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -169.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.24 156.27 63.16 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -51.32 -41.54 58.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.405 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.0 -36.2 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.28 -37.79 59.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.52 87.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.09 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.71 -43.71 95.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.804 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.0 m -65.93 -43.42 88.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.4 mt -66.67 -29.81 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.5 m -64.33 -40.75 96.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 170.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.508 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -60.62 -38.3 94.81 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.424 172.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.65 -42.53 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 111.095 172.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.28 89.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.3 mmm -61.9 -24.95 67.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 55' ' ' GLY . 96.4 t -89.15 -45.1 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.192 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.77 -35.77 82.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.84 -35.55 74.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -75.09 -32.22 61.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -122.02 80.33 42.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.73 0.776 . . . . 0.0 110.899 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.63 -4.78 15.3 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.392 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -91.02 7.82 38.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.2 p -120.54 150.68 40.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.94 156.09 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.132 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.46 130.42 68.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 109' ' ' ARG . 53.6 t-20 -119.89 119.97 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 172.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -111.55 123.58 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.069 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.46 HG12 ' HB2' ' A' ' 111' ' ' GLN . 71.9 mt -120.3 124.25 72.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.64 140.58 15.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.495 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -159.77 164.1 34.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.933 0.397 . . . . 0.0 110.916 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.5 p -130.99 153.31 49.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.054 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 118' ' ' PRO . 0.6 OUTLIER -137.98 24.04 2.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -173.801 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 99.3 p -91.13 -60.35 1.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -162.31 -178.31 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.181 170.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.22 159.85 23.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.405 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.85 137.47 41.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.514 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -54.57 -49.06 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.871 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.54 -46.91 80.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.97 -38.21 87.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -64.5 -45.61 86.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.7 ttm -53.89 -39.16 65.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.801 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.07 -46.41 81.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.96 -40.11 92.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 171.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.4 m -62.05 -37.54 85.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -61.56 -40.94 96.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.42 -46.74 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -67.32 -32.92 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.94 -43.13 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 173.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.94 -34.95 79.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 177.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -64.63 -38.34 90.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.34 -47.49 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.186 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.9 93.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.02 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m -60.87 -43.96 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.899 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.75 82.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.64 -42.78 97.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.7 -41.29 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.5 m -64.08 -31.54 72.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -84.31 3.89 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.24 9.69 55.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 169.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.3 t -81.39 129.93 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 111.131 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -54.61 122.47 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.27 -32.27 68.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -70.64 -17.86 62.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -95.0 -7.39 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 80.6 mt -97.51 128.43 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 91.5 mmt-85 -128.62 131.03 48.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 167.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.566 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 81.2 p -126.88 141.88 51.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.46 ' HB2' HG12 ' A' ' 71' ' ' ILE . 49.2 mt-30 -137.41 144.96 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.25 131.65 9.86 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.414 172.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.0 mt -130.26 155.01 46.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.908 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.86 -165.28 13.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 166.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -49.96 128.32 21.68 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.78 -70.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -127.36 105.53 21.62 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.706 0.765 . . . . 0.0 110.889 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 93.2 Cg_endo -78.45 165.8 24.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 177.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.4 mt -98.84 -49.93 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.604 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -131.98 169.24 16.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -175.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.438 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 35.0 t -64.98 137.72 57.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 -175.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -74.61 -3.45 31.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p -75.13 -8.01 55.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.7 p -119.64 153.78 35.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 174.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.12 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.66 -39.75 91.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.604 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.0 -41.68 99.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.48 -44.17 93.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.46 93.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -72.68 -30.52 64.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -172.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -72.41 -9.51 58.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -169.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -89.44 108.0 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 172.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -144.16 143.79 31.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -160.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 86.3 t -123.39 137.05 57.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 171.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -115.64 131.15 57.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.449 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 85.7 mt -114.86 120.68 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.0 m -113.92 119.72 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.8 tt -115.66 116.8 28.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.6 p -150.24 155.13 37.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 -170.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.4 136.52 56.04 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.645 2.23 . . . . 0.0 112.295 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 51.4 tp -70.38 91.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 80.5 mt -118.66 -8.73 10.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -155.04 170.2 22.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -144.77 126.1 14.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.757 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -156.67 153.28 28.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -165.04 114.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.815 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -156.67 138.64 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -109.96 -59.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.863 -175.578 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.885 0.374 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -65.78 -24.92 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.3 mmm -69.18 -34.78 75.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 176.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -69.98 -29.96 67.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.8 t -75.67 -46.86 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.43 -39.46 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.88 -41.65 96.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.37 95.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.6 -40.57 97.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.05 -36.4 84.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.997 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.71 -41.79 95.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.3 -39.75 92.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.37 -22.91 64.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.5 mtm -95.15 4.27 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.888 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -78.76 89.95 4.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 172.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.69 -177.73 51.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.485 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 p -87.03 -14.92 40.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.331 . . . . 0.0 111.131 176.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.07 -11.41 57.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -172.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.7 t -86.66 133.9 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 111.076 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 t -92.85 126.7 38.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.68 121.49 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.8 m -120.07 135.61 54.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -105.57 128.02 53.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 171.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -136.58 103.94 5.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.28 -122.71 24.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -171.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -96.59 -13.12 23.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 110.895 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -96.15 167.41 11.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -172.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.1 mt -124.02 131.79 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.04 122.24 69.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.3 mt -109.93 130.46 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -116.11 112.85 22.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 175.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 60.9 mtm -106.9 135.97 19.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.534 0.683 . . . . 0.0 110.849 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.67 141.93 38.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -55.94 -33.76 65.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -57.84 -26.43 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -164.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 m -115.61 -9.76 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -174.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -108.01 -56.68 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -175.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -133.44 -177.14 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -170.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -133.08 126.55 32.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 172.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.0 m -57.38 -26.7 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.8 m -73.58 -35.29 65.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -153.83 128.78 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 176.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 90' ' ' ARG . . . -74.21 69.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.6 m -111.85 125.14 53.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 169.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.88 132.39 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -85.54 155.4 59.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.538 0.685 . . . . 0.0 110.84 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.52 -41.3 68.81 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.687 2.258 . . . . 0.0 112.414 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.05 -33.69 74.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.16 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.54 -38.31 57.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.547 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.44 84.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.319 . . . . 0.0 111.055 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.54 -43.73 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.1 m -65.44 -41.66 93.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.36 -32.54 74.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -64.63 -40.29 95.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.56 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -60.53 -39.99 97.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.436 172.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.82 -41.31 92.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.693 0.282 . . . . 0.0 111.041 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.44 85.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.048 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.5 mtp -63.45 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 55' ' ' GLY . 90.0 t -88.43 -47.4 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.158 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.95 -39.3 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -63.48 -30.51 71.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -75.93 -27.07 57.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -120.0 81.06 27.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.698 0.761 . . . . 0.0 110.881 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.68 -9.16 25.22 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.716 2.277 . . . . 0.0 112.395 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.1 4.08 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 177.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.6 p -121.88 159.56 26.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.17 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.71 150.31 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.6 t -110.63 124.31 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 109' ' ' ARG . 55.7 t-20 -114.81 117.91 32.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 173.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.1 t -106.06 121.73 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.404 HG12 ' HB2' ' A' ' 111' ' ' GLN . 82.1 mt -118.96 120.79 65.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -176.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.3 135.16 12.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.481 172.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -149.67 163.14 38.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.045 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.6 t -151.49 141.18 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.126 166.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -119.81 8.7 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.7 p -87.18 -61.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 110.883 -167.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -161.37 -175.18 4.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.178 172.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.75 157.65 22.38 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 173.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.05 132.7 33.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.504 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -55.01 -45.59 75.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.68 -48.81 79.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.39 -40.2 95.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.81 -43.1 94.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -177.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 68.1 mtm -53.99 -43.08 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 171.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.79 -46.77 74.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.964 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.42 -41.06 93.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 173.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.2 m -63.01 -39.94 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -65.68 -40.03 91.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.924 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.33 -47.83 77.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 18.2 ptp180 -65.31 -32.5 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.636 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -60.64 -42.9 97.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 176.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.28 -37.89 89.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.6 m -65.02 -39.98 94.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.14 -46.57 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.95 92.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -61.02 -44.17 97.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.2 87.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.098 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.67 -42.21 98.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.11 -40.66 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 176.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.4 m -63.11 -32.81 74.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 176.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -84.75 6.23 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.28 10.55 51.02 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 168.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.23 131.38 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 111.172 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.41 126.1 26.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 175.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -27.27 65.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.8 p -69.78 -21.61 63.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -92.53 -9.76 40.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.4 mt -94.68 128.14 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 91.2 mmt-85 -128.38 132.44 48.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 168.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.636 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 73.1 p -129.57 142.21 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HB2' HG12 ' A' ' 71' ' ' ILE . 54.5 mt-30 -137.25 148.08 46.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -118.03 128.21 7.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 173.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 89.1 mt -133.2 156.8 46.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.12 -159.49 32.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 168.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -53.5 131.89 45.96 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.668 2.245 . . . . 0.0 112.291 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.94 -67.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -131.43 108.92 14.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.692 0.758 . . . . 0.0 110.927 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.07 153.01 67.94 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.61 2.207 . . . . 0.0 112.398 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.1 mt -96.62 -46.92 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.98 171.86 10.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.8 t -67.44 134.83 52.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -75.08 -6.01 47.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 175.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.5 p -75.72 -9.26 58.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.3 p -119.43 152.42 36.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 174.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.76 -37.41 86.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.059 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.06 -41.27 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.76 -40.89 97.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -62.55 -40.53 97.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.992 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.4 98.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.7 -26.91 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -80.66 -8.6 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -91.84 79.96 5.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 170.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -136.8 158.93 43.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.82 154.54 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -116.61 132.06 56.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.2 mt -117.03 122.06 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 169.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.0 m -112.02 124.22 51.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 48.6 tp -112.94 120.52 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.0 p -154.38 152.74 26.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 110.774 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.36 134.18 50.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.635 2.223 . . . . 0.0 112.337 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 44.6 tp -72.83 90.1 1.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 75.8 mt -122.38 -1.16 9.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -176.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -158.0 169.76 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.791 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -153.16 137.53 16.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -145.3 179.92 7.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -165.02 115.05 1.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -164.87 117.36 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -126.71 -37.66 2.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 179.188 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.893 0.378 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -66.02 -24.2 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -177.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.1 mmm -68.03 -27.9 66.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.66 -28.52 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -87.91 -46.63 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 -177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.86 -41.49 95.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.979 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.74 -41.12 85.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.61 -39.58 93.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 175.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.41 -35.18 80.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.979 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -62.72 -41.24 99.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.45 -38.95 92.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 175.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.28 -25.32 65.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 78.5 mtm -102.61 -2.51 28.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.943 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -81.15 88.66 5.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 174.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.87 179.74 43.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.567 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.4 p -85.6 -10.55 55.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 0.0 111.201 174.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.63 -12.75 58.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.533 -173.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.8 t -84.21 132.79 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 111.094 177.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -97.56 123.16 41.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.56 123.13 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 -174.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.2 m -119.99 136.88 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -104.74 134.55 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 171.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -140.34 99.42 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.785 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.94 -123.28 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.526 -173.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -97.8 10.51 39.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -102.39 154.06 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.3 mt -117.73 124.26 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.8 mt -115.76 120.68 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.6 mt -103.3 121.9 43.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -104.09 109.99 22.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.6 mtt -119.82 138.83 27.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.431 0.634 . . . . 0.0 110.972 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.49 136.8 24.37 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 176.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -68.47 -24.02 64.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -61.71 -23.82 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.763 -170.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.0 m -112.38 -5.76 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.8 m -102.23 -48.75 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -174.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -115.79 151.24 35.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.46 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 66.8 t0 -71.61 133.97 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.858 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.1 p -70.68 -22.54 62.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.3 p -92.19 -6.58 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.0 t -174.44 143.1 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.47 60.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.04 173.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.4 m -116.58 138.83 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 162.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.33 135.48 56.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 97.0 mttt -73.67 152.89 89.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.67 . . . . 0.0 110.861 173.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.79 -40.3 74.91 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.347 175.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.74 -27.45 69.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.66 -37.53 30.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.77 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.063 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.14 -40.44 96.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.1 m -60.11 -45.46 92.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.16 -28.96 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.964 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 100.0 m -65.01 -39.95 94.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 172.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -61.61 -39.08 96.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 170.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.52 -40.07 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 111.036 172.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.01 76.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.059 174.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.4 mmm -64.42 -19.44 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 55' ' ' GLY . 95.1 t -93.79 -54.3 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -173.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.7 tp -68.29 -33.91 75.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -67.29 -39.77 86.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -77.67 -27.5 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -120.76 77.12 29.05 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.724 0.773 . . . . 0.0 110.937 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.85 -7.06 20.39 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -87.24 8.45 24.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.3 p -123.83 160.09 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.456 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -114.42 142.99 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 176.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.48 121.3 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -117.26 115.27 24.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.35 121.38 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -177.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 85.1 mt -122.68 124.12 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.87 136.43 13.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.56 178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -155.97 158.95 38.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.966 0.412 . . . . 0.0 110.953 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.6 p -133.46 153.91 51.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.105 175.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.496 ' HB2' ' HB3' ' A' ' 131' ' ' ASN . 1.4 m-20 -139.24 20.03 2.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -170.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -90.81 -61.66 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -171.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -159.8 179.51 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 169.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.79 159.17 25.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.398 176.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.84 130.36 45.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -52.78 -47.11 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.18 -49.21 76.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.9 -41.41 95.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.48 -52.12 62.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.4 ttp -46.07 -44.86 15.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.19 -45.51 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.4 mt -60.45 -38.09 83.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.416 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 67.8 m -64.78 -39.33 93.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -56.96 -41.03 77.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 174.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -67.09 -43.58 82.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' A' ' 87' ' ' SER . 87.9 mtm180 -63.54 -37.62 88.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.55 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -63.44 -43.81 96.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 176.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.4 -36.67 83.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.1 m -64.86 -39.75 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.91 -48.4 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.104 176.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.55 -42.28 98.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.8 m -59.06 -46.69 87.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.44 87.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.108 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.42 -44.72 95.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.929 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.41 -41.65 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.6 m -62.96 -33.27 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.138 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -87.1 19.05 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.98 4.76 66.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 165.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.4 t -81.25 131.68 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 111.081 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -58.4 121.42 10.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.79 -29.65 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.3 p -71.35 -18.84 62.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -174.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -95.52 -8.12 36.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.5 mt -93.14 135.37 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -127.74 130.62 49.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.775 166.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.55 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 82.1 p -130.95 144.53 51.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -146.84 142.82 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.11 130.84 9.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.524 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.4 mt -128.77 155.55 44.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.45 -160.93 28.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 167.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -49.24 128.39 19.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.99 -69.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -131.63 109.69 14.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.644 0.735 . . . . 0.0 110.93 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.94 158.74 42.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.0 mt -95.54 -45.5 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.403 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -135.6 168.83 18.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -64.44 133.77 53.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -174.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -72.19 -3.75 25.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.921 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.4 p -75.01 -8.27 56.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.7 p -121.39 153.21 38.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.36 87.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.52 -42.08 87.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.47 -41.5 99.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.478 178.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -60.67 -44.64 96.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.891 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.68 96.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -68.21 -29.38 68.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.496 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 98.7 m-20 -71.21 -11.47 60.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -171.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -88.81 92.6 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -130.09 147.8 51.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -164.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.93 138.58 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -117.85 137.38 52.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -172.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 75.4 mt -114.79 121.3 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.9 m -110.59 123.9 50.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 -176.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.3 tp -110.98 121.56 45.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 176.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.5 t -143.57 130.76 10.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.85 -173.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.6 145.06 39.65 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.306 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 67' ' ' ALA . 79.2 mt -73.25 77.31 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 90.0 mt -96.69 -15.99 21.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -161.83 160.59 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -130.47 150.19 51.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -159.49 161.85 35.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -131.67 79.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -164.52 115.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -115.15 -36.57 4.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -177.785 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.1 t80 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.916 0.389 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -65.19 -29.95 70.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -172.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.1 mmm -69.24 -34.87 75.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.84 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.9 -30.99 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.0 -49.98 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.068 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.34 -44.27 96.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 173.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.74 -42.58 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.36 92.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.7 -40.61 97.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.59 -37.69 88.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -58.02 -43.71 86.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 177.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -67.46 -42.83 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 177.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.01 -30.54 71.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 79.3 mtm -95.01 0.65 54.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -119.31 80.15 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.46 59.97 4.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 p -136.41 -40.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.67 6.35 66.47 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.437 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.14 155.96 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.893 0.378 . . . . 0.0 111.06 -172.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.9 t -99.34 120.38 39.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.0 t -102.22 121.36 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.8 m -121.05 139.52 53.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -117.42 135.38 53.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -144.09 116.18 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.03 -123.58 31.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -172.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -100.17 -4.52 29.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.812 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -104.65 168.3 9.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.8 mp -122.73 132.6 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.3 mt -118.93 120.25 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.0 tp -108.68 124.64 50.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -105.04 110.05 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 96.3 mtp -107.38 113.62 61.73 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.512 0.672 . . . . 0.0 110.92 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.69 131.9 35.34 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.83 -38.62 91.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -65.21 -29.57 70.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -166.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -108.47 -4.67 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 -170.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.2 p -114.84 -30.44 6.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.13 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -124.06 155.48 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 8.5 t70 -64.86 145.88 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.7 p -70.47 -25.88 63.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -175.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -91.71 -20.19 21.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.8 t -160.84 149.65 16.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.785 -175.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 90' ' ' ARG . . . -70.03 66.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.195 172.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.4 m -114.85 131.85 56.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 168.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.4 tp -64.07 131.74 48.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.946 -173.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 96.2 mttt -80.28 155.03 74.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.498 0.666 . . . . 0.0 110.947 171.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -52.16 -40.74 68.32 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 175.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.51 77.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.7 -36.94 67.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.426 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.86 82.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.822 0.344 . . . . 0.0 111.078 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.45 -42.3 96.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.3 m -64.24 -43.27 95.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -63.04 -31.71 72.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 178.398 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -65.15 -40.12 93.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.069 171.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.4 -44.68 96.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 172.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.8 t -56.98 -41.88 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.34 92.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 175.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.5 mmm -66.56 -29.55 69.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.45 -51.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 -174.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 60' ' ' LEU . 4.1 pp -64.61 -24.34 67.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 177.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.36 -34.41 72.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.37 -23.3 65.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.477 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 70.8 m-85 -112.5 96.96 38.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.75 0.786 . . . . 0.0 110.959 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 63' ' ' TYR . 27.4 Cg_endo -62.57 -31.49 79.84 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.256 . . . . 0.0 112.405 -177.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -102.64 87.22 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.993 171.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 t -149.39 160.44 43.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -118.85 146.7 44.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 175.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.9 t -109.59 123.81 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -119.98 114.42 22.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -113.4 119.24 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.9 mt -126.98 130.25 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -129.96 148.85 18.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.574 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -163.63 164.32 24.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.389 . . . . 0.0 110.959 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.9 t -169.41 155.14 6.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.426 ' HA ' ' HG3' ' A' ' 115' ' ' PRO . 35.2 t70 -113.31 -49.97 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 176.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 p -79.81 57.58 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.9 m -137.51 -49.03 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.197 174.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.27 -157.99 11.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 168.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.09 161.89 36.62 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.413 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -54.03 -50.24 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -175.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.78 -44.28 96.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.6 tp -64.47 -43.45 94.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -63.83 -47.27 81.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.9 ttp -61.99 -41.66 98.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.87 -44.3 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.63 -35.97 81.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.0 m -62.74 -43.13 99.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.411 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 72.8 tp60 -67.41 -37.19 82.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.857 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -66.35 -47.25 74.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.544 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 17.6 ptp180 -65.71 -35.43 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 177.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -64.69 -41.56 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 173.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -65.91 -33.87 76.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.0 m -64.07 -37.92 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.5 t -60.89 -45.39 98.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.094 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -60.85 -42.98 98.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.07 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.5 m -58.44 -44.52 89.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.79 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.88 -47.54 82.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.5 pt -70.92 -25.72 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.191 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.1 m -67.16 -36.18 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 169.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -90.01 12.76 16.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.76 10.49 55.26 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 165.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.484 HG22 HD11 ' A' ' 60' ' ' LEU . 89.1 t -83.01 127.99 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -56.91 122.91 13.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.41 -29.49 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -70.6 -15.31 62.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -174.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -94.15 -7.6 41.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.8 mt -101.21 135.75 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 -174.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -127.66 130.93 49.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 170.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.466 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 26.3 p -123.25 131.76 53.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -175.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -134.33 121.44 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.411 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -94.03 136.84 13.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 167.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.85 152.51 50.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.815 0.34 . . . . 0.0 110.924 175.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.51 -163.96 13.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.565 162.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.426 ' HG3' ' HA ' ' A' ' 75' ' ' ASP . 77.4 Cg_exo -49.27 124.49 11.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.31 177.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.03 -64.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -132.57 90.68 32.54 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.574 0.702 . . . . 0.0 110.931 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.72 143.39 47.43 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.8 mm -89.45 -45.38 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.51 166.97 23.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.5 t -66.01 136.19 55.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -171.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.11 -14.4 62.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.1 p -74.99 -10.8 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -169.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.5 p -121.92 151.68 40.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.04 83.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.072 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.83 -39.04 87.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.47 -38.15 95.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.31 -41.35 96.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 175.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.36 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.46 -25.86 64.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -63.98 -29.0 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.03 80.0 6.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.17 149.91 48.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.75 154.16 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -121.05 131.23 54.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 80.8 mt -117.07 121.42 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 172.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.6 m -112.87 126.85 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -175.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.3 mt -104.76 112.27 25.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 41.4 t -166.13 133.41 2.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.911 -175.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.03 135.98 46.29 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.1 mt -132.95 155.07 49.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.936 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 94.8 mt -108.01 90.07 3.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 175.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -167.12 165.01 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -155.74 155.38 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -136.96 -42.92 0.58 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 64.95 45.01 3.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -125.78 163.57 22.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 175.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -95.02 -55.03 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -178.841 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.4 t80 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.906 0.384 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -64.8 -29.02 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.6 mmm -68.96 -34.42 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.9 -29.52 62.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.806 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.32 -52.72 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -62.05 -45.61 92.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 173.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.37 -42.43 77.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.19 -40.8 96.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.56 -37.83 88.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -57.74 -43.81 85.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -67.4 -43.66 80.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.45 -31.13 71.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 79.8 mtm -96.4 1.34 51.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.791 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -108.11 81.13 1.45 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.95 52.7 4.18 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 -171.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 p -137.3 -40.17 0.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.081 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.23 6.22 74.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.445 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.2 m -132.05 153.03 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 -171.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.8 m -101.13 126.24 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.2 t -103.16 122.05 55.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.0 m -121.2 140.5 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -117.14 133.6 55.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -140.82 110.06 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.26 -124.98 28.75 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.538 -170.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -98.37 1.87 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 173.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -100.63 160.03 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.97 127.95 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.1 mt -116.81 120.12 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.5 tp -106.75 125.32 50.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.983 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -104.83 108.61 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.0 mtp -109.76 112.64 58.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.943 -175.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.2 132.73 35.08 Favored 'Trans proline' 0 N--CA 1.466 -0.116 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 172.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -66.3 -33.12 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -66.8 -24.98 66.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.5 t -107.05 -17.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.183 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.8 m -99.25 -42.32 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.119 -176.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -114.31 157.5 22.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -61.64 146.48 48.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.0 p -68.48 -26.43 65.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.2 p -91.74 -17.1 25.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -175.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 t -161.7 142.33 10.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.796 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.06 61.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.163 170.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.0 m -113.36 133.32 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 166.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 tp -58.75 131.28 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.778 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 10.2 mmpt? -87.77 156.75 52.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.886 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -51.8 -41.66 61.37 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.633 2.222 . . . . 0.0 112.336 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.22 -34.96 75.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.72 -37.52 57.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.33 90.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 111.163 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -65.73 -43.03 90.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.8 m -65.33 -44.17 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 176.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.04 -30.19 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.862 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.3 m -65.23 -38.48 90.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.164 170.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.61 -41.38 97.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.01 -41.11 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.349 . . . . 0.0 111.151 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.26 85.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.2 mmm -64.73 -21.9 66.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.15 -43.11 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.78 -28.89 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.64 -38.63 87.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.95 -32.36 63.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.941 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -120.26 78.24 26.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.764 . . . . 0.0 110.831 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.36 -23.69 75.31 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.764 2.309 . . . . 0.0 112.349 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.89 61.26 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.0 m -138.21 138.8 38.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -101.52 141.14 34.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 174.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.0 t -108.81 126.24 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.071 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -119.62 113.97 21.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.44 120.86 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -176.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.6 mt -124.29 123.13 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.067 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.31 141.47 16.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 172.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -149.94 150.24 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.955 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 t -171.16 155.48 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.187 173.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -114.61 -49.9 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.769 171.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.0 p -80.23 60.92 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.0 m -131.6 -53.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 172.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.551 ' HA3' HD23 ' A' ' 82' ' ' LEU . . . -165.45 -157.43 9.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.537 170.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.08 166.51 13.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.56 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -56.75 -50.61 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.24 -41.78 93.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD23 ' HA3' ' A' ' 78' ' ' GLY . 58.4 tp -65.6 -38.49 89.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 177.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -61.64 -41.1 97.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -72.01 -42.45 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.76 -45.43 78.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.56 -41.65 98.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 m -63.36 -38.97 93.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -62.67 -40.01 95.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.857 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.72 -40.14 84.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -61.55 -47.18 86.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.24 95.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.13 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -69.39 -32.08 70.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.9 m -64.36 -39.15 93.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 175.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.36 -45.73 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.048 172.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -61.82 -42.82 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.4 m -58.23 -43.95 87.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.22 96.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.093 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.14 -47.33 83.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.8 pt -71.47 -26.01 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.2 m -67.28 -36.84 82.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -90.13 13.19 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -177.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.23 10.24 49.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 163.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.9 t -83.76 126.02 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.165 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -55.78 124.99 19.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.65 -29.53 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.8 p -70.9 -14.05 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -91.8 -5.24 53.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.0 mt -110.22 138.02 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 -172.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -127.91 134.11 49.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.979 170.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.43 HG21 ' HB2' ' A' ' 95' ' ' ALA . 80.7 p -125.29 147.02 49.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 -175.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -147.3 129.96 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 172.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -92.81 132.51 11.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.424 166.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.76 150.66 50.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.93 -154.28 10.56 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 162.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.86 123.31 12.1 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.03 -65.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -129.69 101.88 18.36 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.57 0.7 . . . . 0.0 110.972 171.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -55.42 141.33 82.31 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.66 -49.15 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.83 165.62 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.43 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 40.8 t -66.59 135.03 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -169.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.01 -15.73 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 174.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.2 p -75.75 -9.65 58.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.9 p -122.41 152.38 40.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.69 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.83 -38.61 86.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.77 -38.21 95.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.556 176.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 131' ' ' ASN . 97.6 mttt -61.85 -40.61 95.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.743 0.306 . . . . 0.0 110.901 175.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.33 94.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.75 -26.62 64.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 128' ' ' LYS . 18.8 t-20 -61.98 -30.43 70.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 177.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -88.91 83.15 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -134.63 142.06 46.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -172.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 80.7 t -122.14 136.15 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 170.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -116.57 134.89 54.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -173.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.1 mt -116.68 122.37 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.084 176.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -110.18 124.81 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.9 mp -103.68 113.66 27.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.624 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 44.3 t -161.21 124.43 1.87 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.726 . . . . 0.0 110.959 -177.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 65.4 Cg_exo -54.68 134.49 62.73 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.266 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 93.9 mt -132.12 151.51 51.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 96.4 mt -113.08 88.28 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -165.76 160.02 16.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -137.94 150.19 46.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -135.01 -44.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 176.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 64.07 43.98 4.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -124.9 165.0 18.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -94.97 -55.03 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 178.867 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.6 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.853 0.359 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.0 t -98.18 120.83 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG22 ' HG ' ' A' ' 30' ' ' LEU . 64.9 t -106.55 115.91 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.6 p -125.07 153.87 42.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -173.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -116.7 136.12 53.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -134.94 105.64 6.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.78 -121.86 12.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -170.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -105.49 5.65 31.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.825 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -110.76 166.0 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 82.3 mt -123.9 132.15 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.9 mt -118.68 124.22 72.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.468 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 9.5 mp -105.52 128.07 53.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -111.96 113.1 25.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.1 ptm -132.06 139.03 33.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.524 0.678 . . . . 0.0 110.877 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.28 140.02 17.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.312 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -74.86 -39.21 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -63.77 -28.25 69.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -170.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.98 -23.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 -19.51 12.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -167.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.77 158.56 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 39.0 t0 -61.73 152.05 32.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.4 p -75.14 -24.81 58.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.2 p -92.97 -25.64 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -173.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -155.17 157.65 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.04 64.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 171.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.4 m -110.4 125.22 53.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 170.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -66.42 134.54 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -172.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 98.1 mttt -91.15 160.12 38.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 170.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.27 -40.77 69.22 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.62 2.214 . . . . 0.0 112.343 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.99 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.25 -36.42 70.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.95 82.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.22 -43.42 91.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.6 m -64.21 -44.78 90.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.01 -32.47 74.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.6 m -65.39 -39.75 92.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 173.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.98 96.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.99 -41.65 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 111.119 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -59.81 -38.31 81.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 178.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.18 -24.53 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.79 -48.13 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 -173.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.449 HD23 HG11 ' A' ' 103' ' ' VAL . 36.9 tp -67.19 -35.03 78.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.06 -37.53 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -81.53 -20.63 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -113.83 82.34 6.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.81 -16.08 37.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.7 5.1 44.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -122.83 155.17 37.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.198 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.2 149.16 46.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.2 t -109.29 126.62 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -116.19 118.74 33.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.03 123.45 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.4 mt -127.44 125.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.469 ' HA3' HG12 ' A' ' 134' ' ' VAL . . . -124.05 157.82 18.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -149.99 146.2 26.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 0.0 110.897 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 169.9 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.12 -50.96 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -169.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.22 -43.3 96.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.1 tp -64.52 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -65.59 -38.65 90.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -59.2 -40.16 84.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.27 -44.33 79.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.49 -42.35 98.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.3 m -64.67 -40.31 95.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.457 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 67.1 tp60 -67.07 -36.0 81.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -65.04 -39.47 93.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -61.78 -40.09 93.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 172.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.561 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.23 -43.56 98.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -64.47 -37.48 87.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m -64.33 -39.89 94.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.31 -47.78 90.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.143 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.07 99.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -61.08 -44.67 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.21 -46.39 89.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 57' ' ' ALA . 95.7 mt -62.2 -44.96 95.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.7 -39.25 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.0 m -61.49 -33.0 73.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -86.05 7.93 22.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.5 9.7 56.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.449 HG11 HD23 ' A' ' 60' ' ' LEU . 85.0 t -80.62 129.25 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.152 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -58.52 126.56 28.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.55 -24.54 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.0 m -63.28 -24.37 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -100.64 -0.21 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -173.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.2 mt -101.97 124.62 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -126.07 121.88 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 175.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.561 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 66.0 p -131.35 146.79 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -141.87 135.75 29.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.457 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -95.11 115.0 5.0 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 174.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.6 tp -123.05 144.82 49.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 -177.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.54 -165.99 29.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.03 135.18 42.77 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -144.96 -45.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -144.81 73.22 15.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.534 0.683 . . . . 0.0 110.833 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.55 129.57 34.48 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.401 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 89.3 mt -55.95 -42.46 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.04 170.52 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.4 t -72.84 136.96 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -74.86 -2.01 24.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.7 p -76.75 -9.58 58.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.8 p -120.65 152.72 37.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.108 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.32 90.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.05 -40.74 87.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.846 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.55 96.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.479 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.96 -42.09 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.04 86.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.17 -33.22 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -77.99 -30.39 50.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -175.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.46 63.33 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -141.67 158.47 43.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.469 HG12 ' HA3' ' A' ' 72' ' ' GLY . 24.7 m -125.19 156.33 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -116.8 130.19 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.468 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 89.3 mt -113.23 120.83 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.6 m -107.92 121.71 45.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 47.0 tp -114.9 120.81 41.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.7 p -149.88 149.03 26.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.685 0.755 . . . . 0.0 110.88 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.98 127.44 26.35 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.625 2.217 . . . . 0.0 112.3 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 50.6 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -176.07 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.843 0.354 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -94.37 122.86 37.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.411 HG22 ' HG ' ' A' ' 30' ' ' LEU . 62.2 t -106.75 117.16 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -123.7 150.74 43.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.74 137.8 51.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -142.25 109.76 5.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.67 -124.04 30.21 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -105.01 18.53 22.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.942 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -125.63 165.57 18.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.2 mt -126.73 133.2 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.9 mt -119.57 124.79 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.411 ' HG ' HG22 ' A' ' 21' ' ' VAL . 10.6 mp -103.24 126.52 50.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.942 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -110.4 112.37 24.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 27.6 ptm -131.56 139.46 35.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.508 0.67 . . . . 0.0 110.918 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HA ' ' HG2' ' A' ' 133' ' ' ARG . 44.0 Cg_endo -72.27 134.14 22.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.736 2.291 . . . . 0.0 112.394 -174.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -72.85 -40.01 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -64.17 -32.44 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -173.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -82.02 -28.61 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.2 p -109.05 -15.67 14.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -166.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -114.88 159.84 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.65 145.1 55.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.7 p -71.26 -25.97 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -90.72 -23.03 20.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -157.5 155.92 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.457 ' HB1' ' HG3' ' A' ' 90' ' ' ARG . . . -68.92 65.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 170.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.3 m -114.28 128.63 56.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.11 134.93 52.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -176.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -87.37 157.76 52.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.71 . . . . 0.0 110.908 171.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.3 -40.09 78.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.272 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.41 81.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.42 67.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.532 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.08 -34.99 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.65 0.262 . . . . 0.0 111.048 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.74 -43.59 92.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.4 m -64.45 -43.57 93.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.412 HD22 HG13 ' A' ' 94' ' ' VAL . 89.2 mt -64.84 -32.63 74.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.1 m -64.76 -39.14 93.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 172.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.77 -42.0 96.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.4 -41.16 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 111.17 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.39 89.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.0 mmm -64.25 -26.36 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.0 t -88.93 -46.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD23 HG11 ' A' ' 103' ' ' VAL . 31.6 tp -64.71 -35.18 80.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.984 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.45 -36.65 84.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -68.27 -31.51 71.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -118.38 82.45 18.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.95 -9.12 25.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.07 11.08 19.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.7 p -125.17 155.11 40.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.31 155.76 36.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 p -109.75 129.57 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -118.64 124.1 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.48 125.33 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -174.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.4 mt -123.03 120.48 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -120.97 150.29 17.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.524 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -151.08 156.64 41.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 110.951 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.085 173.592 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -55.54 -50.75 69.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -173.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.33 -41.28 93.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.1 tp -64.97 -39.53 93.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.38 -45.3 91.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 68.3 ttp -65.34 -42.71 92.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.93 -43.24 79.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.0 -40.34 94.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -63.92 -39.29 93.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -67.74 -36.1 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -65.41 -41.59 93.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.457 ' HG3' ' HB1' ' A' ' 43' ' ' ALA . 99.9 mtt180 -65.04 -38.09 89.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 176.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.721 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.55 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 174.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.75 -36.66 84.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.0 m -64.82 -39.0 92.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.412 HG13 HD22 ' A' ' 53' ' ' LEU . 52.2 t -62.99 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 175.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.11 99.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.4 m -60.19 -44.12 95.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.88 91.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.078 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.77 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.2 -40.69 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.2 m -62.5 -33.61 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -87.79 11.16 16.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.42 9.54 55.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 164.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.432 HG11 HD23 ' A' ' 60' ' ' LEU . 97.9 t -82.11 129.63 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 111.154 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.16 129.37 41.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.37 -24.49 67.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.5 m -65.67 -21.83 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -94.37 -10.06 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.3 mt -101.37 125.8 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -174.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -129.73 126.64 38.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 167.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.721 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 68.6 p -127.06 143.03 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -138.08 134.58 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.829 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -117.16 132.5 10.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 170.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.4 tp -139.93 140.68 36.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.346 . . . . 0.0 110.903 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -69.8 -163.62 4.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.495 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.05 118.71 5.63 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.27 . . . . 0.0 112.302 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -136.43 -65.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -140.7 80.74 17.76 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.532 0.682 . . . . 0.0 110.798 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -67.0 139.84 52.55 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 -174.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.27 -42.64 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -125.29 169.02 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.477 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 39.3 t -72.73 136.65 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -74.98 -9.46 58.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 77.7 p -75.65 -10.04 59.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -172.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.5 p -120.54 152.52 37.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.2 86.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.023 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.29 -40.04 93.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.477 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.17 -39.28 96.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.8 -44.71 93.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 110.865 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.97 99.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -69.51 -26.56 64.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -79.14 -20.94 47.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -87.06 62.59 7.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.406 ' HG2' ' HA ' ' A' ' 33' ' ' PRO . 69.0 mtm180 -136.74 157.03 47.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -175.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.7 p -127.3 143.3 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 176.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -113.45 129.93 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 88.4 mt -117.11 117.62 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.3 m -113.03 122.26 47.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -173.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.93 123.29 48.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 91.1 p -144.68 149.12 42.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.83 -175.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 78.2 Cg_exo -54.33 127.88 27.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.6 2.2 . . . . 0.0 112.31 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 43.7 tp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -177.761 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.861 0.363 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.7 t -95.35 126.27 40.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.4 t -107.68 119.97 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.163 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -122.69 135.88 54.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.48 136.6 48.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -142.82 109.27 5.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.28 -127.01 34.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.498 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.5 p-10 -97.94 5.26 49.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.808 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -116.09 170.46 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.3 tt -141.32 134.97 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -121.26 128.31 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.75 128.24 54.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -101.72 110.13 22.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.7 mtt -110.07 119.05 48.29 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.871 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HG2' HG22 ' A' ' 36' ' ' VAL . 90.4 Cg_endo -72.7 128.62 13.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 171.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -59.65 -26.96 65.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.49 -26.48 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -167.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.406 HG22 ' HG2' ' A' ' 33' ' ' PRO . 27.8 m -114.7 -15.12 10.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.4 m -95.51 -53.04 3.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -114.47 172.76 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.98 145.79 51.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 168.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -65.18 -23.98 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.2 p -108.2 -31.16 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.1 m -129.13 152.63 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -169.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.64 57.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.1 m -111.56 126.85 55.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.14 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 50' ' ' ALA . 28.1 tp -69.55 132.87 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.964 -170.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -86.19 157.89 55.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 169.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.59 -44.32 48.31 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.727 2.285 . . . . 0.0 112.376 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.34 83.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.57 -35.19 80.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.443 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' HA ' HD21 ' A' ' 45' ' ' LEU . . . -64.41 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.166 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.41 -48.23 80.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.3 m -66.83 -46.1 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.52 -32.49 74.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.9 m -65.18 -41.74 94.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.39 -40.18 98.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 174.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.49 -43.33 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 111.171 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.52 75.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 82.8 mtp -62.15 -18.48 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -99.37 -42.56 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.424 HD21 HD22 ' A' ' 138' ' ' LEU . 93.2 mt -66.67 -37.37 84.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.02 -45.53 94.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -82.61 -22.4 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -173.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -106.33 95.12 10.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.676 0.75 . . . . 0.0 110.882 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -76.48 179.62 6.23 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 55.02 35.24 24.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.6 m -127.45 134.87 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -174.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -103.18 138.27 40.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.421 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 60.2 t -109.23 126.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 176.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -118.55 114.95 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -108.27 118.64 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 92.0 mt -130.19 125.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.42 150.99 17.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.543 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 29.6 p90 -139.45 141.0 37.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 0.0 110.889 -179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.059 176.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -54.1 -46.8 72.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 -173.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.13 -45.46 94.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 55.6 tp -67.33 -37.22 82.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -63.99 -41.2 97.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -60.07 -39.12 84.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 173.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.61 -45.88 74.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.68 -41.6 99.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -62.33 -40.48 96.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.448 ' HB2' ' HA3' ' A' ' 112' ' ' GLY . 73.2 tp60 -61.66 -44.58 96.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.79 -46.8 70.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.965 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -68.09 -37.94 81.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.91 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 175.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.66 -32.54 73.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.856 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.6 m -66.86 -36.25 81.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.23 -47.26 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.06 97.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.2 m -60.36 -42.56 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.51 80.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.46 -42.64 99.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.958 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.441 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 91.0 mt -67.02 -39.9 84.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.6 m -60.01 -33.72 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -89.97 13.54 14.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.51 9.97 32.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 160.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 86.8 t -84.66 129.84 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 111.176 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -60.52 132.33 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.62 -28.76 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 79.0 p -69.16 -15.1 63.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -87.56 -13.99 41.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.913 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.421 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 83.6 mt -114.95 134.81 56.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 -173.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -133.77 129.19 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 170.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.8 p -122.97 149.46 44.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -173.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -139.87 142.54 36.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 172.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.448 ' HA3' ' HB2' ' A' ' 88' ' ' GLN . . . -92.2 114.93 4.68 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.553 172.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 82.3 mt -128.6 154.62 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.57 -165.03 27.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.48 173.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 75.0 Cg_exo -50.53 133.3 37.58 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.94 -65.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -129.72 79.61 73.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.692 0.758 . . . . 0.0 110.89 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.32 156.86 60.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 97.4 mt -88.22 -48.2 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -135.37 163.93 28.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 -178.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.736 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.7 t -65.29 140.06 58.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -175.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -75.82 -2.46 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 83.8 p -78.0 -8.57 58.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.8 p -118.7 156.43 29.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.195 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.74 95.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.37 -38.93 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.736 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -65.11 -39.23 96.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.526 176.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.03 -41.1 97.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.894 0.378 . . . . 0.0 110.927 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.51 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -71.45 -20.37 62.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.9 -35.47 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -90.17 89.91 7.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -140.09 149.81 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -175.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.12 130.47 73.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -118.9 133.11 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 5.1 mp -111.84 124.77 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 90.7 m -108.97 123.74 49.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 60' ' ' LEU . 36.5 mt -108.49 117.0 33.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -178.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 43.4 t -162.12 128.48 2.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.647 0.737 . . . . 0.0 110.951 -174.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.4 128.81 17.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 178.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.913 0.387 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.2 t -97.08 125.81 41.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -105.78 120.54 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.2 m -124.21 138.88 54.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -108.3 132.67 53.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 t -140.03 108.41 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.53 -124.95 30.39 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.46 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -93.95 -12.62 28.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -99.09 164.55 12.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.793 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.7 mt -128.75 131.17 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.114 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.68 123.48 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mp -107.43 127.34 53.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.91 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -101.4 110.49 22.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.9 mtt -111.22 124.38 32.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 -174.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -73.37 133.59 19.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 170.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -56.04 -31.45 63.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -58.22 -25.13 61.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -166.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -112.63 -14.98 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 -176.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.729 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 89.7 m -101.8 -54.17 2.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -123.08 -179.62 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -79.48 169.56 17.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 99.1 p -70.16 -27.62 64.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.4 p -125.86 -10.97 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.8 t -134.12 142.41 47.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 -170.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.543 ' HB3' ' HG3' ' A' ' 89' ' ' GLN . . . -79.15 60.76 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.088 171.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.4 m -105.5 118.59 36.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.2 174.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -64.73 132.38 49.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -169.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -95.0 160.21 31.44 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.593 0.711 . . . . 0.0 110.842 171.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -53.15 -48.74 20.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.328 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.729 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -69.26 -33.64 73.76 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 176.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.84 85.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -65.09 -44.22 89.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.4 p -71.75 -37.21 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -64.83 -33.78 76.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 174.379 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.1 m -65.42 -39.26 91.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 172.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.93 -42.07 98.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.04 -42.34 96.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 111.143 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.02 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.1 mtp -62.52 -21.99 65.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.3 t -93.28 -47.0 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.22 -40.13 86.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -67.19 -47.52 70.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -80.19 -25.2 39.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -172.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.04 87.41 28.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.671 0.748 . . . . 0.0 110.954 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.454 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 69.2 Cg_endo -70.16 177.15 6.15 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 94.6 mttt 70.18 19.07 6.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -177.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.1 p -123.87 148.35 46.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.66 139.13 50.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.97 132.17 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -113.12 122.9 48.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.12 116.85 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.0 mt -132.05 127.8 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.637 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -138.42 155.67 23.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -143.01 157.83 44.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.399 . . . . 0.0 110.902 -171.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.065 178.35 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.399 -0.28 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -58.59 -55.06 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.71 -43.51 88.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.28 -39.98 89.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -175.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -62.92 -43.65 98.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.4 mtp -64.39 -35.73 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.12 -42.14 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.9 -39.43 93.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -63.07 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -63.49 -43.05 98.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.543 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 62.6 tp60 -69.67 -43.14 73.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -64.32 -41.29 96.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -64.41 -42.1 96.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 175.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -69.77 -31.9 70.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.3 m -64.55 -36.32 83.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.95 -45.17 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.125 171.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.57 99.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.055 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -58.8 -42.36 88.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.97 -44.35 93.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.34 -41.96 99.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.58 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.5 m -61.98 -33.23 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.04 -0.5 51.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.17 10.55 36.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.7 t -83.13 128.05 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 111.158 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -64.4 133.38 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.13 -24.42 64.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.1 p -69.57 -17.95 63.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -92.02 -6.77 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.7 mt -112.95 133.69 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -175.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -132.97 131.78 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 168.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.574 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 73.3 p -127.71 145.16 50.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -139.86 131.56 27.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.07 87.83 1.57 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.8 mt -109.95 153.48 24.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -69.85 -178.91 23.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -55.11 133.84 60.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.24 -51.25 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -132.74 82.51 55.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.843 170.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -52.0 118.84 4.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.245 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.9 mt -55.59 -52.11 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -141.67 162.27 35.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 -176.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.728 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.4 t -67.45 138.38 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -78.83 0.91 25.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.4 p -76.65 -6.8 53.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.4 p -119.01 156.26 29.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 173.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.42 96.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.121 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -65.82 -40.99 92.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.728 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.99 -40.42 99.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.48 -41.02 84.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 177.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.9 -47.27 78.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -64.39 -27.25 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -176.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -77.35 -20.99 54.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -90.13 72.24 7.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -139.04 149.58 44.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -171.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.637 HG22 ' HA3' ' A' ' 72' ' ' GLY . 93.8 t -125.59 133.09 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 174.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -116.4 135.0 54.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -175.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 85.6 mt -115.68 122.74 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.5 m -114.53 123.5 49.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -173.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.68 128.2 53.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.5 t -148.78 119.86 4.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -174.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.52 131.13 40.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.371 171.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 176.909 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t -95.34 125.45 39.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.9 t -112.6 121.63 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.9 m -123.01 136.31 54.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -108.79 138.47 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -147.12 116.33 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.52 -126.34 41.87 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.524 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -99.5 10.8 40.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -122.09 171.7 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 tt -141.46 135.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.5 mt -119.95 126.97 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -104.94 124.2 49.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -104.13 116.05 31.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 74.9 mtm -122.68 132.81 24.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.691 . . . . 0.0 110.892 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.8 143.98 63.43 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.709 2.272 . . . . 0.0 112.394 173.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -51.42 -35.81 40.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.42 -25.59 67.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -166.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.32 -20.63 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 -170.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.2 m -103.08 -47.02 4.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -115.33 176.33 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.45 ' HB3' ' H ' ' A' ' 42' ' ' SER . 25.6 t0 -78.42 161.36 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.809 175.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.4 p -67.85 -25.63 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -176.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.0 p -128.29 -13.64 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 -175.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.45 ' H ' ' HB3' ' A' ' 39' ' ' ASP . 30.1 t -127.31 143.06 51.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -173.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.9 59.61 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 168.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.5 m -114.58 126.47 54.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 173.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.49 136.35 54.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -89.79 160.0 42.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 171.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -50.45 -44.0 41.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.751 2.3 . . . . 0.0 112.257 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.05 79.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.074 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.95 -37.96 60.3 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.421 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.25 83.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.55 -44.52 93.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.1 m -66.32 -40.18 89.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -62.84 -32.04 73.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 178.65 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.6 m -65.0 -40.22 94.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 172.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.97 -39.7 97.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.539 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.22 -42.28 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.18 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.51 -20.82 65.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.4 t -92.93 -48.61 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.6 -43.67 84.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.95 -47.26 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -80.61 -23.88 39.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -120.18 81.67 29.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.688 0.756 . . . . 0.0 110.879 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.464 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 41.3 Cg_endo -68.22 171.1 13.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.293 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 95.8 mttt 67.57 22.58 9.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -169.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 140' ' ' PRO . 90.5 m -120.7 134.3 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.13 137.53 42.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 -175.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -108.45 128.56 63.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -118.32 125.34 49.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -108.7 116.63 52.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.5 mt -130.29 128.63 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.509 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -142.74 157.94 26.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -141.35 146.64 36.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 0.0 110.88 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.063 172.124 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -54.95 -49.45 71.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 -173.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.85 -46.5 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -65.75 -43.21 89.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.877 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.1 ttm -57.63 -38.44 75.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.17 -43.35 82.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -60.84 -45.17 95.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.6 m -64.53 -35.95 82.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.92 -42.52 98.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 174.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -69.24 -41.32 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -61.57 -45.4 94.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.478 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -64.05 -42.79 96.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -69.99 -32.63 70.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.6 m -61.66 -41.54 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.42 -43.41 98.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.96 94.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -59.54 -42.44 92.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.21 92.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.81 -42.05 96.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.66 -41.11 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.04 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.5 m -63.31 -33.28 75.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -85.0 3.75 37.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.84 10.52 37.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 167.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -84.67 129.68 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.196 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -63.9 132.58 51.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.91 -23.54 65.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.5 p -72.06 -13.34 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -95.6 -5.23 43.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.2 mt -109.73 134.15 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 80.2 ttt-85 -134.99 122.12 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.957 171.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.478 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 73.7 p -122.09 148.08 45.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 -176.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.04 132.18 14.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.3 134.46 12.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.525 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 89.6 mt -130.95 146.9 52.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.954 0.407 . . . . 0.0 110.831 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.13 -166.27 28.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.473 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -58.98 135.83 69.3 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.97 -64.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -136.33 82.32 35.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.89 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -54.73 127.44 26.16 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.282 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.1 mt -55.15 -41.67 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.21 169.24 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.033 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.9 t -70.48 135.65 48.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -77.1 0.65 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.886 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.8 p -78.52 -7.31 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.9 p -119.07 153.74 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.2 94.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.107 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.39 -40.92 81.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.35 -39.86 98.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.89 -42.02 92.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.927 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.28 93.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -68.1 -28.36 67.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -75.03 -19.13 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.8 71.24 9.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -136.98 146.51 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.509 HG22 ' HA3' ' A' ' 72' ' ' GLY . 89.5 t -129.56 139.18 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 175.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -117.09 139.48 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -173.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.7 mt -114.56 126.56 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.9 m -109.72 124.78 51.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 81.8 mt -112.5 118.91 36.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.975 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.3 t -145.5 124.05 6.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.707 0.765 . . . . 0.0 110.89 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 72.6 Cg_endo -70.42 134.14 25.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.32 173.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 -176.444 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 52.3 m -99.67 121.44 41.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.847 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -111.55 120.45 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.1 m -121.35 135.79 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -118.67 138.55 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.2 t -147.41 110.98 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.88 -116.51 9.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.445 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -99.99 -13.9 18.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -96.72 169.99 9.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -172.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 tt -142.36 136.01 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -113.44 121.77 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.8 mt -108.14 115.61 30.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 39.6 t-20 -104.13 109.93 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.3 mmm -105.75 137.85 19.45 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.939 -175.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -70.37 131.78 21.06 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.733 2.288 . . . . 0.0 112.312 170.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.407 ' HB2' ' HB3' ' A' ' 132' ' ' ARG . 96.8 m-20 -66.17 -33.7 76.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -172.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -63.78 -23.51 67.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -164.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.7 m -108.74 -8.53 11.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.419 HG23 ' HA3' ' A' ' 49' ' ' GLY . 89.7 m -107.38 -46.86 3.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 -175.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.3 165.56 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -80.43 165.03 22.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.846 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.7 p -74.01 -26.51 60.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.0 p -99.88 -30.65 11.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.824 -172.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.5 p -152.76 161.15 42.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -176.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB3' ' HG2' ' A' ' 89' ' ' GLN . . . -74.58 70.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.163 174.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.7 m -109.09 124.96 51.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.82 132.98 48.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -170.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.46 160.02 33.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.879 170.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -50.67 -42.76 49.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.75 95.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.419 ' HA3' HG23 ' A' ' 37' ' ' THR . . . -70.23 -37.78 71.69 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.439 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.84 85.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.33 . . . . 0.0 111.174 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -63.89 -41.69 97.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 83.1 m -65.16 -44.68 87.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.438 HD22 HG13 ' A' ' 94' ' ' VAL . 58.3 mt -65.6 -29.08 69.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.3 m -62.95 -40.08 96.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.217 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.83 -42.1 99.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.01 -46.21 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 111.146 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.19 -35.29 80.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 62.1 tpp -62.51 -31.79 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.2 t -80.44 -46.68 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.8 mt -64.05 -41.82 97.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -68.71 -46.5 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.021 -173.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -82.75 -24.47 33.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.806 -173.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -119.81 82.04 26.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.76 0.791 . . . . 0.0 110.863 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 47.6 Cg_endo -69.5 -178.15 2.11 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 96.5 mttt 64.9 21.94 12.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -169.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.8 m -123.92 132.34 53.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.45 138.0 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -111.61 132.75 59.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.42 132.29 54.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -114.7 123.7 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.2 mt -129.34 122.54 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -121.89 155.62 16.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 171.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -140.97 157.54 45.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.072 178.418 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -55.86 -50.44 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -43.91 91.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.5 tp -65.79 -40.1 91.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.38 -39.11 93.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.73 -39.2 90.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.46 -39.76 85.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.15 -38.04 89.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 173.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.6 m -65.75 -35.78 81.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' CA ' ' HA3' ' A' ' 112' ' ' GLY . 72.9 tp60 -64.1 -42.39 96.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.498 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 44.0 tt0 -64.88 -44.02 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 174.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -62.26 -45.09 94.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -65.01 -41.4 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -68.42 -32.1 71.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.8 m -62.02 -40.71 96.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.438 HG13 HD22 ' A' ' 53' ' ' LEU . 55.2 t -65.56 -45.78 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.04 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.0 m -61.13 -42.78 99.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.6 -45.51 90.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 108' ' ' ILE . 0.6 OUTLIER -63.0 -41.49 99.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.572 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.99 -39.99 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 176.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.5 m -62.36 -32.61 73.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -81.9 -1.07 46.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.56 12.14 31.41 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 169.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.1 t -80.95 129.77 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.41 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 62.9 t0 -62.93 135.49 57.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.77 -24.98 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.7 p -68.38 -18.96 64.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.41 ' HE ' ' HB3' ' A' ' 104' ' ' ASP . 75.0 mtm180 -93.96 -7.36 43.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 98' ' ' LEU . 64.5 mt -117.86 125.03 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -139.42 112.06 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 173.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.483 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 63.6 p -128.37 149.13 50.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -172.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -139.92 145.53 38.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 88' ' ' GLN . . . -89.96 118.88 5.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.0 mt -120.1 148.71 43.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.17 -170.71 41.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -62.37 131.47 34.2 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.643 2.229 . . . . 0.0 112.387 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.0 -64.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -174.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -132.71 81.26 59.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.661 0.744 . . . . 0.0 110.923 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.26 145.29 53.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.281 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.47 -50.18 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.23 163.59 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -175.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.647 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.2 t -68.01 141.96 56.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -73.32 -7.67 52.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.881 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -76.06 -7.04 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.0 p -118.41 155.51 30.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.37 95.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.116 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.2 -38.05 84.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.647 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.8 -39.81 98.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 178.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.54 -41.34 89.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 176.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.67 93.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -70.37 -25.44 63.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -78.88 -21.46 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.407 ' HB3' ' HB2' ' A' ' 34' ' ' ASN . 98.1 mtt180 -86.29 61.98 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -128.27 144.6 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.9 139.93 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.138 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -113.88 128.43 56.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.4 mt -115.8 119.49 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.6 m -111.95 124.1 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.9 mp -110.59 126.52 54.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.5 t -145.21 124.7 6.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.97 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.14 128.7 16.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.283 174.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -175.17 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.86 0.362 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -93.09 127.77 38.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -106.6 120.05 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.3 m -121.77 136.18 54.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -110.75 139.46 46.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.1 t -147.4 116.39 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.8 -124.69 36.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -102.26 10.07 39.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -118.49 170.77 8.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 tt -141.77 135.24 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.6 mt -120.49 127.75 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.16 119.74 40.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -104.19 109.34 21.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.1 ptp -120.1 129.83 25.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.871 -174.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 133' ' ' ARG . 91.6 Cg_endo -74.4 143.84 31.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -56.17 -33.33 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.91 -28.37 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -166.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.31 -21.54 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -171.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 94.5 m -96.39 -52.07 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -115.68 169.52 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.86 144.84 56.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 169.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.3 p -65.11 -24.99 67.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -176.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.9 p -107.94 -20.5 13.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -173.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -138.31 145.01 40.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 -172.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 90' ' ' ARG . . . -72.01 57.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.069 168.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.5 m -112.43 125.2 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.73 132.48 46.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -169.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -92.05 159.71 37.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.866 172.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -51.91 -44.41 45.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.36 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.16 82.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.79 -35.95 73.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.67 85.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 111.199 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.35 -44.35 95.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.0 m -66.54 -42.93 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -64.67 -29.61 70.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.2 m -64.74 -38.23 90.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.37 -41.13 99.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.535 172.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.55 -43.29 98.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 111.156 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.11 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.014 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.5 tpp -58.78 -24.26 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 177.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -93.2 -48.29 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 -174.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.59 -37.23 71.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -67.93 -43.36 79.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 -175.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -81.06 -29.64 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -120.1 84.37 33.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.682 0.753 . . . . 0.0 110.892 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 58.3 Cg_endo -72.43 165.88 31.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.224 . . . . 0.0 112.316 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 89.1 mttt 71.8 32.94 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -174.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 140' ' ' PRO . 94.4 m -111.99 135.79 52.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.205 176.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB2' HD12 ' A' ' 141' ' ' LEU . . . -87.02 133.16 33.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 109' ' ' ARG . 67.4 t -115.85 124.94 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 -176.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -122.11 110.48 15.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.813 171.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.29 115.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.5 mt -131.04 122.13 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.1 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.579 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -120.07 161.27 14.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 171.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -146.05 150.31 35.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.89 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.078 177.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -60.16 -54.98 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.906 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.79 -41.34 95.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.6 tp -65.99 -40.0 90.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.67 -38.81 89.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.3 mmm -72.43 -39.58 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.78 -37.14 81.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.1 mt -66.2 -39.89 89.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -62.28 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.9 -44.07 86.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -70.05 -41.67 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.417 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 91.1 mtt-85 -64.53 -41.16 96.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.77 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -70.1 -31.47 69.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -64.8 -35.15 80.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.98 -46.41 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.76 99.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.2 m -59.55 -43.58 93.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.46 91.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.066 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.69 -40.84 96.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.93 -40.18 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.035 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -62.92 -33.03 74.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -82.12 -0.06 42.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.34 11.21 36.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 170.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.8 t -85.26 127.34 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -59.54 133.57 56.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.14 -25.91 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.091 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.0 p -71.28 -17.37 62.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -92.67 -4.97 52.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 51.5 mt -116.38 131.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.424 ' H ' ' HB ' ' A' ' 68' ' ' VAL . 53.0 mtm180 -133.02 140.93 47.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.827 172.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.473 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 59.9 p -134.62 152.78 52.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -176.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -139.72 126.31 20.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 170.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.04 85.54 1.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.544 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.5 mt -101.63 155.87 17.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.84 -173.31 45.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.18 137.16 54.89 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.658 2.238 . . . . 0.0 112.443 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -129.83 -58.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -132.33 78.6 67.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 172.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.66 144.03 76.77 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.15 -54.48 14.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.495 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -137.47 160.36 39.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -175.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.651 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.4 t -67.18 141.48 57.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.0 p30 -74.4 -1.56 21.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.961 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.3 p -76.7 -7.65 55.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.3 p -117.78 154.09 32.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 172.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.26 94.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.12 -41.57 90.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.651 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -61.42 -39.37 97.19 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.523 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.99 -42.5 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.26 -44.0 89.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.01 -22.76 66.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -80.94 -21.54 40.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.73 71.28 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.403 ' HD2' ' HA ' ' A' ' 33' ' ' PRO . 39.9 mmm-85 -130.32 144.98 51.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -171.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.579 HG22 ' HA3' ' A' ' 72' ' ' GLY . 92.5 t -127.91 134.77 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 170.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -119.72 134.36 55.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.8 mt -112.35 123.66 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.2 m -109.3 121.94 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.108 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 51.0 mt -115.55 121.1 41.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 43.7 t -143.24 118.95 6.47 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 56.3 Cg_endo -70.77 134.24 25.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.617 2.211 . . . . 0.0 112.268 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 67' ' ' ALA . 99.2 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.3 t . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.9 t -90.15 126.16 35.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -106.41 120.47 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.1 m -120.17 133.63 55.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -115.58 139.0 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -149.25 116.07 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.72 -123.26 32.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.498 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -102.09 9.51 40.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -119.36 170.97 8.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 tt -141.17 135.17 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.5 mt -115.59 124.95 72.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.7 mt -107.92 120.45 42.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -103.1 108.31 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.472 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 64.7 mtt -108.98 132.22 21.32 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 -170.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.482 ' HA ' ' HD3' ' A' ' 133' ' ' ARG . 34.0 Cg_exo -62.09 133.88 46.42 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.658 2.238 . . . . 0.0 112.395 174.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.46 -31.0 72.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 174.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.3 -23.94 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.403 HG22 ' HB2' ' A' ' 33' ' ' PRO . 23.2 m -114.25 -15.48 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.614 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 96.0 m -101.36 -50.56 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.059 -175.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -111.2 172.0 7.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' HB3' ' O ' ' A' ' 42' ' ' SER . 36.2 t0 -80.2 154.31 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 170.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.3 p -73.27 -24.38 60.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -106.43 -19.85 13.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -173.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 29.6 t -147.2 148.78 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -173.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.66 59.84 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 168.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.5 m -117.37 129.48 55.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.37 137.27 55.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -171.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.64 160.17 50.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.852 168.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -50.2 -46.07 30.41 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.614 2.209 . . . . 0.0 112.372 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.614 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -74.13 -38.44 47.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.434 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.97 84.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.204 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -66.02 -42.01 90.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -64.87 -44.18 90.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.229 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.406 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.1 mp -63.32 -34.56 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 176.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 83.4 m -65.54 -40.39 92.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 174.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.81 -41.51 96.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.82 -41.33 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 173.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.438 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -61.97 -37.24 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.6 mmt -64.36 -22.78 67.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.795 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.6 t -87.33 -44.04 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.89 -33.54 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -75.38 -40.99 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 -174.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -78.25 -30.73 48.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -123.03 77.78 51.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.684 0.754 . . . . 0.0 110.922 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 57.2 Cg_endo -73.12 -178.52 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.6 2.2 . . . . 0.0 112.313 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 88.8 mttt 72.33 34.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -176.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.6 m -126.19 138.36 53.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -93.77 136.68 33.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 -175.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.14 124.91 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.03 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -119.66 116.4 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 173.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.52 117.99 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.3 mt -131.66 125.67 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.423 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -111.48 151.5 17.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.559 173.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.446 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 46.4 p90 -136.47 141.74 43.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.02 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -58.43 -54.45 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.68 -42.66 95.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.6 tp -65.93 -37.8 86.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -62.2 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 99.3 mtp -63.19 -40.47 97.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.59 -43.28 85.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.64 -39.16 93.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.0 t -61.68 -40.53 95.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.446 ' HB2' ' HA3' ' A' ' 112' ' ' GLY . 71.7 tp60 -62.06 -44.66 96.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.909 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.78 -44.32 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -65.53 -39.39 91.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.6 98.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.64 -32.98 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.8 m -63.75 -36.96 85.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.66 -47.2 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.099 173.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.95 98.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.5 m -58.05 -42.7 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.99 80.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 57' ' ' ALA . 98.3 mt -62.38 -44.05 97.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.9 mt -65.01 -40.78 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 m -63.63 -34.49 77.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -82.62 -0.3 46.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.11 11.91 24.91 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 167.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.1 t -84.74 128.12 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.145 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -57.96 124.6 19.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.14 68.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.5 p -65.67 -18.2 65.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 -170.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -95.33 -5.66 42.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -177.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 79.4 mt -109.47 131.43 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -132.23 134.81 45.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.2 p -122.54 149.27 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -139.63 130.21 25.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.786 174.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.446 ' HA3' ' HB2' ' A' ' 88' ' ' GLN . . . -85.36 91.86 1.73 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.517 172.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 72.4 mt -106.82 156.24 18.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.63 -164.75 29.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.446 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 34.0 Cg_endo -61.87 136.37 61.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.405 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.98 -64.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -130.73 79.54 71.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.614 0.721 . . . . 0.0 110.853 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -66.86 140.65 56.08 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.27 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.449 ' HB ' ' HB3' ' A' ' 130' ' ' GLN . 97.3 mt -65.69 -46.77 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -178.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.472 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -137.17 160.81 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.755 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 31.4 t -65.96 141.26 58.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.802 -175.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -76.11 -1.55 26.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -76.48 -8.6 57.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.2 p -120.3 156.97 30.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.39 94.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.24 -38.12 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.755 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.91 -37.96 94.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.596 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.04 -40.17 96.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 175.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.21 90.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.449 ' HB3' ' HB ' ' A' ' 119' ' ' ILE . 99.6 mm-40 -71.17 -25.85 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -65.1 -34.59 78.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.04 80.45 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.482 ' HD3' ' HA ' ' A' ' 33' ' ' PRO . 90.3 mmt-85 -137.82 148.51 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -173.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.423 HG22 ' HA3' ' A' ' 72' ' ' GLY . 79.9 t -125.85 137.44 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -116.59 136.96 52.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -175.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.0 mt -112.0 124.68 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.1 m -108.94 123.8 49.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -175.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 58.5 mt -110.55 120.09 41.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 47.1 t -155.21 118.19 2.43 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.763 0.792 . . . . 0.0 110.888 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.81 122.6 9.26 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.623 2.216 . . . . 0.0 112.311 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.705 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG21 HG21 ' A' ' 52' ' ' THR . 81.0 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.009 0.433 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.8 t -92.71 126.07 37.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.8 t -107.87 120.38 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.6 m -123.29 135.28 54.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.21 139.46 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -144.54 109.24 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.54 -123.24 28.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.513 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -95.13 -5.15 44.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -109.66 168.57 9.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.0 tt -142.14 135.04 28.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.9 mt -119.71 127.84 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.5 mp -107.81 127.29 53.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -102.45 108.79 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.7 mtt -106.75 123.85 37.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.923 -171.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.422 ' HG2' HG22 ' A' ' 36' ' ' VAL . 84.4 Cg_endo -75.37 132.53 15.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 173.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.515 ' HB2' ' HB2' ' A' ' 38' ' ' PHE . 2.4 p-10 -59.64 -26.35 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 178.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.93 -27.76 65.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -168.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.422 HG22 ' HG2' ' A' ' 33' ' ' PRO . 33.9 m -119.94 -14.97 8.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.032 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.88 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 97.5 m -100.86 -52.2 3.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -175.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.515 ' HB2' ' HB2' ' A' ' 34' ' ' ASN . 77.6 m-85 -108.76 -178.5 3.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.657 ' HB3' ' O ' ' A' ' 42' ' ' SER . 39.9 t0 -77.58 161.83 27.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 167.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.2 p -74.18 -26.44 60.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.5 p -107.48 -26.05 11.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.799 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.657 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 96.0 p -144.01 159.89 41.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -170.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.564 ' HB3' ' HG2' ' A' ' 89' ' ' GLN . . . -75.99 61.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 169.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.1 m -108.75 119.38 39.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 170.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.45 136.97 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.62 160.35 39.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 168.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -51.58 -47.24 27.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.85 95.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.88 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -74.8 -38.13 42.96 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.419 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.04 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 111.114 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.87 -41.26 95.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.428 HG21 HG21 ' A' ' 19' ' ' VAL . 89.5 m -65.83 -42.48 90.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.225 175.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.74 -33.35 75.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.5 m -64.44 -39.88 94.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.219 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.4 97.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.492 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.09 -41.35 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.11 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.97 78.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.6 mtp -62.37 -20.6 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.2 t -94.82 -47.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.166 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.98 -38.97 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -63.12 -42.05 99.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.049 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -84.68 -28.24 26.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.772 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -109.21 92.36 11.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.699 0.762 . . . . 0.0 110.928 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.11 176.01 9.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.4 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 71.55 25.76 3.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 174.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.9 p -122.37 151.63 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 175.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -108.28 134.57 50.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.454 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 68.0 t -109.58 125.88 66.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 177.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -114.97 119.03 35.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -106.69 117.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.2 mt -132.62 128.45 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.83 152.61 17.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 172.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.444 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 44.8 p90 -137.56 142.9 41.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.908 0.385 . . . . 0.0 110.943 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.448 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -53.97 -51.18 64.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 110.993 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.31 -43.81 93.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.21 -35.54 78.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -66.08 -41.03 91.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 97.8 mtp -58.89 -39.4 81.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.32 -45.32 73.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.24 -42.25 99.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 174.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -61.19 -40.1 92.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -61.64 -42.38 98.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.564 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 40.0 tt0 -66.87 -48.51 68.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -66.46 -36.29 82.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.39 97.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.72 -32.66 73.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.8 m -63.09 -37.44 87.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.802 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.17 -48.87 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.184 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.08 97.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.048 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.1 m -58.26 -45.75 87.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.04 80.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.147 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.81 -40.55 95.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.17 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.3 m -62.22 -32.47 73.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.65 -0.68 48.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.34 9.9 30.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 169.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.88 127.79 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.136 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -60.95 131.4 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.06 -24.42 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.2 p -68.98 -14.26 62.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -90.3 -18.23 25.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.454 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 73.1 mt -122.53 134.56 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 -173.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -135.66 148.86 49.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 169.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.7 p -126.59 149.2 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -142.17 127.54 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 171.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.84 114.07 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 90.0 mt -126.18 155.45 41.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.38 -163.25 9.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.433 174.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 35.3 Cg_endo -62.99 137.4 62.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.8 -65.01 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -125.8 84.69 60.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -68.33 160.51 48.73 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.689 2.26 . . . . 0.0 112.311 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.0 mt -94.5 -45.28 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.616 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -142.09 163.53 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.594 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 37.8 t -63.31 137.32 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.771 -174.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -77.39 1.74 18.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.4 p -76.31 -7.28 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.9 p -118.56 156.58 28.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.253 173.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.69 92.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.12 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.52 -41.96 92.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.616 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.42 -44.18 97.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -60.36 -43.45 96.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.43 -48.83 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.6 -29.89 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -172.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -72.17 -18.15 61.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.4 ttp-105 -86.02 85.0 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 73' ' ' TYR . 90.3 mmt-85 -140.97 155.32 46.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -172.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.3 133.06 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 170.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -114.77 136.96 52.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.8 mp -113.36 124.74 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 87.3 m -107.73 123.33 48.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.094 -176.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.566 ' C ' HD23 ' A' ' 138' ' ' LEU . 6.5 tt -113.57 113.26 24.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 43.6 t -134.69 120.07 14.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 110.9 -173.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.96 122.84 9.46 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -176.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.5 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -92.32 128.39 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.3 t -104.86 121.4 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -121.5 137.07 54.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -108.67 133.78 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.6 t -143.07 109.23 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.39 -124.01 33.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.445 -176.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -99.46 7.57 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.822 0.344 . . . . 0.0 110.843 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -120.89 167.36 12.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.1 mt -127.45 133.65 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.8 mt -112.92 122.5 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.1 mt -106.66 116.05 31.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -102.3 108.68 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.8 ptp -122.85 128.84 25.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.953 -175.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.24 146.0 44.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.44 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -55.6 -29.19 58.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.834 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.81 -25.88 66.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 m -112.22 -19.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.2 m -108.74 -49.67 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -174.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.41 178.85 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.912 -174.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -67.78 167.61 13.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 166.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.7 p -62.52 -29.09 70.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -172.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.1 p -136.72 -11.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 -174.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -120.97 156.73 31.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 -162.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.04 51.29 2.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.5 m -112.81 125.08 53.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.81 140.46 53.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -84.64 158.41 59.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 165.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.42 -45.12 35.99 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.56 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.072 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.13 -38.36 59.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.96 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.204 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.39 -42.92 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.8 m -63.49 -45.15 92.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.0 mt -65.32 -29.64 70.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.5 m -64.77 -40.29 95.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 172.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.62 -39.73 96.94 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.98 -41.45 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.99 79.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.017 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.01 -21.99 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.6 t -92.27 -46.0 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.089 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.14 -40.6 94.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -66.26 -46.06 78.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.975 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -78.53 -25.67 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.76 85.64 28.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 73.8 Cg_endo -71.71 177.11 7.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 94.9 mttt 70.46 16.64 7.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.6 p -122.35 148.27 45.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.153 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.74 139.39 48.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.7 130.25 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 173.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -120.07 130.25 54.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.8 t -111.7 121.53 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.1 mt -128.34 121.8 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.42 151.72 16.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -144.15 149.6 36.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.938 0.399 . . . . 0.0 110.939 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 -174.382 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.56 -48.43 72.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 110.835 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.05 -47.84 75.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.0 tp -65.81 -40.25 91.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -66.98 -38.82 86.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.9 ttp -54.98 -39.02 68.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 170.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.57 -43.08 85.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.29 -39.15 89.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.0 t -60.84 -39.88 90.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.61 -42.39 95.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -68.3 -42.52 79.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.53 -37.5 87.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.42 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.23 -41.71 94.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.7 m -63.74 -41.4 98.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.86 -44.98 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.18 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.89 98.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -61.49 -43.79 98.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.08 90.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.1 -42.95 99.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.34 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m -62.94 -34.97 78.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -84.31 1.87 42.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.03 10.06 30.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 166.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.59 128.45 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.224 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.405 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 64.8 t0 -62.05 133.69 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.43 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.7 p -70.0 -19.22 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.405 ' HE ' ' HB3' ' A' ' 104' ' ' ASP . 76.5 mtm180 -90.91 -5.78 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.812 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 58.9 mt -106.97 125.18 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.178 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -135.24 114.65 12.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.1 p -128.91 146.78 50.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -136.86 145.53 44.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 171.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.38 102.16 1.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.3 tp -117.03 123.8 47.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.85 -167.61 23.65 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.35 129.38 33.74 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.669 2.246 . . . . 0.0 112.424 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.01 -48.87 2.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -134.63 96.73 14.8 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.69 0.757 . . . . 0.0 110.891 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -53.78 146.99 42.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.298 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.1 mm -86.89 -49.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.507 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -145.02 167.89 21.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.037 176.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.1 t -65.82 135.07 54.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -77.56 2.46 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.1 p -75.77 -6.95 53.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 175.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.7 p -118.64 152.86 35.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.152 172.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.16 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.6 -41.77 79.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.507 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -62.42 -38.98 97.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.509 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.6 -43.64 93.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.65 -45.54 75.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.29 -24.94 66.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.89 -20.26 63.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -90.21 80.09 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -136.77 151.49 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.3 t -127.45 138.2 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -118.48 130.24 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 81.5 mt -117.46 125.47 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.144 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 95.7 m -113.8 124.78 53.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -172.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 mp -107.37 122.85 47.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -144.34 121.0 6.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.711 0.767 . . . . 0.0 110.893 -171.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.92 132.64 50.88 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 171.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 176.764 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.897 0.38 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -86.24 123.34 31.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.812 178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -104.95 123.7 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 -171.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.5 m -120.66 138.16 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.22 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -99.91 127.58 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.895 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.0 t -136.17 101.62 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.86 -124.67 31.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -173.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -98.81 10.13 41.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 174.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -109.11 160.38 16.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.15 129.7 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -111.33 119.39 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.499 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 86.2 mt -108.14 125.61 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -178.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -108.05 112.27 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 175.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.8 ttp -121.55 121.55 28.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.478 0.656 . . . . 0.0 110.876 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 59.2 Cg_endo -71.26 135.91 27.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.385 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -69.32 -39.99 77.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.813 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -73.6 -20.58 60.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -169.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.409 ' HB ' ' HG2' ' A' ' 33' ' ' PRO . 97.7 t -88.28 -29.54 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 76.2 p -112.31 -19.08 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -172.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.48 159.03 25.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 172.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 68.0 t0 -62.14 129.67 41.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 176.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.9 p -63.47 -21.46 66.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.2 m -88.32 -39.1 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.3 p -146.93 159.79 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -173.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.2 63.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.1 m -113.69 126.88 55.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 166.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.58 134.79 56.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 95.2 mttt -82.64 155.23 68.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.958 171.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.53 -42.86 59.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.634 2.222 . . . . 0.0 112.375 174.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.76 76.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.63 81.56 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.25 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.095 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.32 -43.75 90.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.3 m -61.14 -46.5 90.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.54 -32.24 73.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.0 m -64.72 -40.05 94.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.22 -44.48 98.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.453 173.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.0 t -57.36 -40.33 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.083 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.54 99.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.073 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.7 mmm -64.67 -27.94 69.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.821 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.7 t -80.66 -43.52 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.17 -32.63 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.98 -36.43 75.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.3 -29.96 66.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -114.27 80.9 6.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.65 155.47 62.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 68.11 40.52 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.8 p -127.81 162.6 26.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -109.44 132.29 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.62 127.01 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -118.22 123.11 44.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.3 t -113.41 123.12 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.08 119.76 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.68 143.37 16.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.556 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -144.24 154.98 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.947 0.403 . . . . 0.0 110.897 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.18 -179.599 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -57.14 -53.15 61.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.818 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.5 -41.49 96.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.0 tp -64.42 -43.74 93.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.79 -44.16 96.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.408 ' SD ' ' HA ' ' A' ' 113' ' ' LEU . 62.8 tpp -63.07 -44.17 96.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.976 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.37 -45.77 68.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -175.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mp -67.56 -39.37 84.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.9 m -62.75 -41.23 99.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.765 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.446 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 73.0 tp60 -67.6 -35.85 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -66.35 -39.08 88.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -64.29 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.711 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.14 -40.9 97.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -64.06 -37.4 87.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.5 m -65.97 -38.51 88.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.93 -46.46 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.148 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.67 98.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.5 m -60.08 -43.58 95.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.09 86.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.1 -41.43 99.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.97 -41.54 92.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.7 m -62.67 -32.93 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -85.07 1.6 47.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.33 12.07 40.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.598 166.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.1 t -84.73 127.23 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.775 0.321 . . . . 0.0 111.129 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -56.87 128.37 36.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.39 69.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.8 p -68.97 -18.21 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -92.36 -8.22 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.8 mt -106.23 128.36 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -173.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -130.52 124.37 31.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.711 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 55.2 p -125.76 149.1 48.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -175.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -145.26 128.43 16.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.835 173.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.446 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -90.87 133.25 11.7 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 167.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.408 ' HA ' ' SD ' ' A' ' 84' ' ' MET . 89.0 mt -129.4 149.88 51.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.969 0.414 . . . . 0.0 110.876 177.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.69 -157.7 6.89 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 165.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -63.95 124.0 12.84 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.602 2.201 . . . . 0.0 112.363 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.26 -45.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -140.56 81.95 16.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.917 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.32 142.55 73.3 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 47.0 pt -103.43 -20.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 -174.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -136.76 168.43 19.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.4 t -71.06 133.36 46.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -71.6 -15.33 62.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.5 p -80.15 -6.13 57.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 90.4 m -114.45 139.64 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.85 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 -174.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.2 -39.99 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.3 -46.3 79.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.549 -175.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -65.13 -32.13 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.831 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.31 96.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.1 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -69.4 -26.86 64.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.1 -11.98 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.784 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -87.42 81.48 7.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 171.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -143.65 147.4 34.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -169.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.78 139.51 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -113.67 132.32 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.499 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 4.9 mp -117.3 122.15 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -111.23 125.58 53.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.201 -176.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.475 ' C ' HD23 ' A' ' 138' ' ' LEU . 6.6 tt -107.96 115.46 30.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.9 t -136.98 118.24 11.05 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.725 0.774 . . . . 0.0 110.849 -175.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.07 134.82 65.87 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.663 2.242 . . . . 0.0 112.438 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.929 -179.531 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -96.73 123.54 40.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.9 t -105.24 122.33 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.7 m -119.91 136.0 54.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -103.34 132.73 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 171.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.3 t -141.1 102.76 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.23 -124.03 29.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.5 -171.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -99.56 1.22 43.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.741 0.305 . . . . 0.0 110.92 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -110.12 166.09 11.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -173.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.79 131.93 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.6 mt -117.39 121.81 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.4 mt -108.67 122.23 46.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -110.04 114.04 27.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.1 mtm -113.0 130.3 23.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.52 0.676 . . . . 0.0 110.858 -176.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -73.88 143.41 33.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.313 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -53.55 -40.08 65.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.32 -20.06 65.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -170.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.5 t -104.38 -26.69 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 -175.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.0 m -90.12 -51.24 5.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -171.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -116.63 153.17 32.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.8 146.53 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -67.6 -25.91 66.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.1 p -89.46 -15.78 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -168.41 145.32 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.51 63.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 170.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.7 m -111.84 133.59 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 164.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.33 135.08 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -172.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -79.08 154.94 77.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.546 0.689 . . . . 0.0 110.84 171.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 -40.07 66.41 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.364 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.12 -31.0 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.13 -36.85 44.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.488 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.32 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.041 175.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.42 -40.55 97.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 177.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -62.7 -44.28 96.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 mt -67.3 -28.06 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.2 m -64.04 -40.61 96.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 170.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -62.26 -38.79 96.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 172.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.17 -44.46 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 173.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.4 88.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.45 -22.27 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 55' ' ' GLY . 93.6 t -94.57 -45.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.195 -175.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.03 -33.78 76.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -71.92 -35.89 69.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.38 -31.26 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -119.97 83.68 31.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.675 0.75 . . . . 0.0 110.904 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -67.13 -15.67 47.02 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.627 2.218 . . . . 0.0 112.391 -175.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -92.58 26.31 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 p -124.57 151.02 45.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' HB2' HD13 ' A' ' 141' ' ' LEU . . . -115.94 148.59 39.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.079 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.67 131.31 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -117.62 120.22 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.2 t -106.3 117.52 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.4 tt -127.16 127.24 69.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.48 142.91 15.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -147.51 149.76 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.974 0.416 . . . . 0.0 110.984 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 166.485 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -54.41 -46.55 73.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.23 -46.12 90.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.0 tp -64.99 -40.24 94.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -62.58 -51.28 67.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.8 ttm -47.85 -45.31 29.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 171.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.17 -45.98 89.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -174.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.15 -38.26 90.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.956 173.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.9 m -62.62 -39.54 94.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.79 -39.29 91.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -68.98 -47.8 64.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -175.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -65.97 -35.06 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.35 95.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.075 175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -67.28 -34.07 76.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m -64.05 -39.63 94.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.41 -42.9 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 173.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.77 85.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.7 m -61.23 -43.09 99.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.25 94.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.104 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 69.1 mt -59.71 -43.27 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.51 -40.83 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 175.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.9 m -64.02 -32.19 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.79 7.51 23.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 -177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.9 8.9 57.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 170.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.34 128.43 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 111.098 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -57.9 124.79 20.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.85 70.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.5 p -70.11 -19.04 63.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -90.46 -4.75 56.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.1 mt -102.33 134.14 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 -175.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -127.05 133.19 50.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 170.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.6 p -114.38 140.07 48.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -140.13 154.0 46.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.3 144.54 12.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 113' ' ' LEU . 2.6 pt? -152.57 160.79 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 177.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.2 -156.84 19.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.602 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -49.24 125.12 12.89 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.761 2.308 . . . . 0.0 112.272 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.08 -67.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -132.28 119.66 16.65 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.628 0.728 . . . . 0.0 110.936 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.84 146.17 41.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.6 mt -100.19 -46.1 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.15 168.0 16.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 174.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 t -67.58 133.22 49.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -174.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.7 -6.65 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 p -74.18 -9.3 58.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.8 p -121.4 153.39 37.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.183 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.65 81.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.72 -42.18 86.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.55 -40.3 97.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -60.95 -42.31 97.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 0.0 110.964 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.63 99.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -68.4 -25.8 65.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -76.94 -16.72 59.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -90.36 84.55 6.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.89 155.55 48.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -175.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.9 t -123.53 136.08 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 171.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -117.02 130.03 56.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -169.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.1 mt -117.76 123.28 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.9 m -114.77 124.35 51.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.065 -173.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.15 121.56 45.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 91.5 p -147.16 149.15 34.27 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.646 0.736 . . . . 0.0 110.766 -173.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.31 135.14 59.55 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.638 2.226 . . . . 0.0 112.381 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.418 HD13 ' HB2' ' A' ' 67' ' ' ALA . 47.4 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.892 0.377 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -97.76 125.4 42.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.6 t -103.51 119.97 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.078 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -122.01 139.56 53.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -107.18 131.18 54.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 173.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -136.24 100.28 4.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.764 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.08 -127.71 35.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 -171.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.73 0.6 56.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 174.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -96.98 151.94 19.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.1 mt -122.46 124.39 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.3 mt -121.07 124.94 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mp -106.04 130.16 54.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 175.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -109.41 116.06 31.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 28.2 ttt -120.23 127.6 26.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.856 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 32' ' ' MET . 73.4 Cg_exo -54.9 138.74 78.24 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.289 -177.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -64.78 -32.99 74.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -69.48 -16.73 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -113.51 -6.52 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.8 m -95.86 -44.73 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -121.04 153.81 36.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.436 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 8.4 t70 -67.19 145.94 54.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -66.84 -24.42 66.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.5 p -93.16 -16.87 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -161.25 141.58 10.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.79 60.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 168.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.5 m -111.65 131.12 55.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 168.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.68 133.37 53.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -170.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 96.1 mttt -79.85 157.05 74.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.521 0.677 . . . . 0.0 110.858 172.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.96 -40.56 58.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.64 -33.49 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.84 -37.66 43.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.562 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.94 89.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.074 175.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.03 -41.93 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -62.27 -45.42 93.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 175.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.6 mt -64.83 -32.31 73.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 178.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.3 m -65.65 -39.97 91.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.44 -40.74 94.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 171.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.88 -40.66 87.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.773 0.321 . . . . 0.0 111.077 172.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.23 -40.84 78.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.9 mmm -63.81 -23.56 67.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.5 t -91.6 -45.08 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.226 -173.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.47 HD23 HG13 ' A' ' 103' ' ' VAL . 48.0 tp -63.51 -33.88 76.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.58 -40.66 95.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 177.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.74 -35.97 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -120.06 80.01 26.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.731 0.777 . . . . 0.0 110.843 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.15 -6.11 18.44 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.599 2.199 . . . . 0.0 112.351 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -92.21 17.1 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.4 p -122.7 158.43 30.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HB2' HD13 ' A' ' 141' ' ' LEU . . . -116.08 144.88 43.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.126 177.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.03 123.0 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -116.74 115.4 25.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 175.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.38 125.01 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.52 131.46 72.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.22 144.84 15.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 172.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -149.98 159.84 44.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.009 0.433 . . . . 0.0 110.92 -175.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.1 m . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.182 169.834 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 115' ' ' PRO . 81.2 t60 -54.8 -47.14 74.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.06 -49.65 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.17 -40.73 94.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -63.83 -50.26 69.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.4 ttp -49.97 -41.66 47.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 172.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.45 -45.99 81.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.83 -36.54 79.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 172.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 m -65.25 -38.82 91.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -60.35 -38.28 83.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 173.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -67.28 -40.68 86.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -57.6 -43.89 85.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 173.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.638 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -60.83 -44.96 96.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.08 -41.66 92.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 m -64.08 -39.34 93.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.15 -48.83 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -60.14 -41.75 93.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.4 m -59.54 -47.24 86.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.05 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.35 -47.84 84.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.912 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.27 -40.32 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.1 m -62.99 -35.14 79.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 175.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -84.99 9.96 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.01 7.67 59.56 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 167.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.47 HG13 HD23 ' A' ' 60' ' ' LEU . 96.3 t -79.66 128.48 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 111.11 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -52.59 119.07 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.13 71.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.5 p -71.0 -17.72 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -174.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -94.55 -8.7 37.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.4 mt -92.81 133.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -126.96 129.89 49.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 164.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.638 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 69.1 p -121.7 140.92 51.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.187 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -137.75 152.06 48.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.24 131.48 5.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.39 170.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.8 tp -142.64 141.47 31.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.08 -161.63 5.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.535 176.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 80' ' ' HIS . 78.9 Cg_exo -50.46 127.97 22.0 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.738 2.292 . . . . 0.0 112.364 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.96 -67.37 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -133.54 116.54 13.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.968 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.56 148.72 67.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.595 2.197 . . . . 0.0 112.372 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.0 mt -97.35 -49.15 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.54 168.68 15.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 172.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.5 t -65.72 132.57 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -171.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -74.45 -5.31 41.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 176.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 74.4 p -74.91 -9.03 58.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 59.7 p -121.13 155.14 35.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.25 87.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.035 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.29 -42.37 88.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.43 99.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -62.36 -42.81 99.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.91 95.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -72.96 -21.12 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -175.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -74.54 -16.2 60.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -90.18 83.51 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -128.05 160.72 31.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.787 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 99.4 t -121.55 139.97 47.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 170.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -114.93 130.06 56.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -167.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 85.5 mt -113.71 119.57 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 173.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.8 m -113.0 125.01 53.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -175.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 58.4 tp -111.92 123.06 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.2 p -147.05 149.81 36.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.25 136.82 69.71 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.612 2.208 . . . . 0.0 112.415 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 67' ' ' ALA . 51.5 tp . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.97 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.6 t -97.47 123.77 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.08 123.4 62.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.3 m -120.39 135.93 54.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -101.6 128.16 48.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 172.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -137.0 103.4 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.94 -122.46 24.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -172.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -96.23 -9.04 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.322 . . . . 0.0 110.898 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -103.5 167.3 9.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -171.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.3 mt -122.04 134.04 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.5 mt -113.24 121.73 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 176.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 58.9 mt -107.16 123.51 48.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -107.4 109.24 20.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 89.2 mtp -111.18 138.35 21.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.527 0.68 . . . . 0.0 110.879 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.37 132.4 19.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.296 171.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -63.17 -26.51 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.822 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -58.76 -28.3 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 -167.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.4 m -110.36 -7.57 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -172.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.4 p -96.31 -51.84 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -151.19 172.04 16.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -92.66 117.33 29.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.1 p -52.14 -24.84 7.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.5 m -64.56 -42.77 95.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -161.84 139.09 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.88 80.68 1.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -168.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.5 m -105.41 122.67 46.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 166.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.13 127.49 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.77 157.9 51.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.528 0.68 . . . . 0.0 110.855 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.03 -44.12 52.82 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.57 86.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.09 -36.02 64.26 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 176.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.58 87.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 111.102 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.59 -46.82 84.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.4 m -69.11 -42.22 76.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.86 -34.76 79.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.983 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.8 m -64.36 -37.55 87.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 171.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -59.83 -39.31 95.25 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 172.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.25 -41.44 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 172.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.03 88.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.33 -22.14 66.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 55' ' ' GLY . 84.9 t -87.85 -43.55 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.61 -35.47 80.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -71.62 -36.12 70.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -72.67 -34.97 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 176.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.01 79.97 42.49 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.693 0.759 . . . . 0.0 110.924 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.01 -8.21 22.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.234 . . . . 0.0 112.371 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -90.2 12.31 18.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.4 p -121.41 152.11 39.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.18 151.81 34.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.46 131.17 64.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -120.1 115.18 23.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 172.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.8 t -113.09 124.1 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -176.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.5 mt -124.08 124.94 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.87 140.2 15.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -159.53 164.77 34.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.937 0.398 . . . . 0.0 110.939 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.8 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.099 171.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -55.0 -47.38 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.01 -47.5 80.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.09 -42.93 96.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.67 -45.27 90.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 60.5 ttm -54.46 -42.37 70.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.09 -42.78 93.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -177.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.17 -37.28 82.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 172.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.5 m -68.25 -34.54 76.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -60.86 -36.71 79.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 176.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.04 -40.53 96.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -63.09 -41.56 99.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.51 85.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.52 -40.79 96.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.4 m -65.07 -42.1 94.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.1 -47.02 86.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.01 96.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -61.94 -43.87 97.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.77 86.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.079 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.18 -42.14 98.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.915 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.61 -40.57 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.8 m -63.14 -32.79 74.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -86.1 7.31 25.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.98 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.5 9.94 56.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.498 167.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -83.59 129.62 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.912 0.387 . . . . 0.0 111.107 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -57.71 125.54 23.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.06 -26.75 64.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.096 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.5 m -65.85 -26.36 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -89.58 -6.02 56.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -176.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.7 mt -102.07 130.28 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -174.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -127.57 129.88 48.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 166.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.7 p -128.28 147.57 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.166 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -147.33 141.46 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -114.87 128.02 7.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.1 mt -130.07 156.49 44.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.948 -175.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -73.53 -165.63 10.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.61 167.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -48.28 127.04 14.74 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.98 -68.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -127.99 101.31 22.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.879 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -78.25 163.45 27.63 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.278 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.4 mt -96.84 -47.48 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.565 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -137.83 170.05 16.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.083 -174.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.7 t -64.86 138.13 58.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -174.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.13 -4.91 41.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.8 p -76.26 -8.15 56.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.2 p -119.14 152.89 35.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.33 90.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.86 -41.63 91.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.565 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -64.86 -40.56 97.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -60.79 -43.57 97.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.985 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.18 97.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -70.81 -29.85 66.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -173.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -73.97 -6.85 49.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -169.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -84.91 84.81 7.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 172.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -127.5 145.22 50.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.754 -167.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.78 139.93 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 173.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -114.35 131.14 56.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -170.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.42 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 88.1 mt -117.7 120.24 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 173.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.3 m -110.85 124.33 51.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 83.2 mt -113.98 118.33 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 175.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 89.3 p -142.59 147.8 44.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 -173.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 52.9 Cg_exo -54.94 139.07 79.13 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.691 2.261 . . . . 0.0 112.298 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.893 -178.604 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.845 0.355 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 t -96.87 116.22 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -104.73 121.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.116 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.2 m -122.54 137.41 54.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.161 -174.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -98.92 126.69 44.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 172.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.5 t -136.14 102.93 5.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 -175.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.98 -124.68 28.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.547 -171.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -95.31 -4.76 44.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -109.02 166.36 10.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -128.08 132.37 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.5 mt -118.22 126.07 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.17 114.23 27.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.984 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -111.09 118.98 37.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.9 ptp -121.17 145.64 42.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.579 0.704 . . . . 0.0 110.881 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.54 145.6 37.81 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.306 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -57.27 -35.06 69.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.21 -25.83 68.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -163.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -108.17 -14.88 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.1 m -101.37 -48.94 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -168.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -122.68 152.14 40.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.417 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 66.1 t0 -65.09 133.97 52.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.754 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.9 p -66.29 -20.9 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.9 m -85.44 -26.68 26.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.3 t -163.12 150.22 12.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -177.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 90' ' ' ARG . . . -71.57 66.27 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.9 m -119.09 135.25 54.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 167.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.85 132.47 48.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -173.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 98.3 mttt -77.96 155.23 80.31 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.571 0.7 . . . . 0.0 110.793 170.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.85 -40.55 57.4 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 174.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.88 -33.1 74.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.73 -38.12 61.12 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.74 85.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 111.056 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.37 -43.03 98.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -62.74 -43.19 99.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 175.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.86 -33.35 75.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.7 m -64.75 -42.05 95.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.503 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -60.45 -41.61 98.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 173.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.0 t -62.03 -39.91 85.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.08 92.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.0 mmm -64.23 -24.9 67.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 55' ' ' GLY . 87.5 t -87.66 -46.3 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.176 -176.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.64 -35.48 80.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -57.06 -35.0 68.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -71.15 -25.26 62.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -122.79 83.95 49.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.679 0.752 . . . . 0.0 110.906 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.15 -10.03 27.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.408 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.73 5.19 49.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.6 p -119.98 156.19 31.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.38 158.24 26.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.86 127.49 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -123.09 113.51 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -110.15 124.97 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -174.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.3 mt -123.42 125.82 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.99 139.47 14.55 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.516 174.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -151.84 150.46 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.962 -176.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 169.831 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -55.03 -47.26 74.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.44 -47.51 83.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 -175.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.89 -42.85 94.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.19 -46.49 86.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.403 ' HG3' ' HA ' ' A' ' 113' ' ' LEU . 51.6 ttm -54.96 -42.8 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 173.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.73 -44.17 91.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.59 -37.48 86.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 172.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 m -63.61 -39.9 95.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -64.99 -37.98 89.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.945 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 43' ' ' ALA . 37.8 tt0 -63.85 -51.08 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.43 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 13.0 ptp180 -65.21 -31.16 72.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.5 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -61.58 -44.55 96.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.078 175.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.82 -35.62 81.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.6 m -64.22 -40.1 95.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.45 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.49 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.8 m -61.19 -46.03 92.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.7 89.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.061 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.96 -42.45 98.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.02 -41.3 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.0 m -63.14 -33.01 74.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -85.85 8.96 18.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.03 10.15 57.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 166.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.5 t -81.73 129.49 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.352 . . . . 0.0 111.186 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -54.37 123.35 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.02 -28.43 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.4 m -68.39 -25.02 64.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -91.89 -8.5 46.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.5 mt -95.13 129.27 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -177.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -127.64 130.01 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 166.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.5 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 80.3 p -128.03 140.72 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.226 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -139.95 150.0 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.06 134.99 8.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.403 ' HA ' ' HG3' ' A' ' 84' ' ' MET . 2.9 pp -142.86 158.06 43.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 178.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.98 -158.63 29.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.574 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.73 127.18 18.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.338 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.02 -65.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -132.29 115.89 15.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.22 154.99 37.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 83.7 mt -100.03 -50.06 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.43 168.25 14.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.6 t -66.67 133.59 50.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -174.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -75.45 -3.67 35.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.9 p -74.89 -9.54 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.05 0.452 . . . . 0.0 110.918 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.5 p -119.51 153.87 34.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.89 85.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.54 -43.13 86.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.82 -39.2 97.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -61.01 -44.22 97.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 0.0 110.953 177.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.32 98.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -68.09 -21.98 64.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 -175.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -82.14 -4.3 56.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -174.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -97.79 99.4 10.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -135.02 154.79 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -169.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.9 t -125.43 135.01 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 169.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -117.08 129.87 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -171.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.77 120.48 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 173.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -111.79 119.22 37.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.8 tt -113.43 116.0 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.8 p -151.42 154.18 33.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 0.0 110.782 -169.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.99 133.55 52.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.282 177.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 46.3 tp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -178.35 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 t -97.87 126.36 43.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -106.26 121.98 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.2 m -119.94 134.76 55.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -103.32 128.15 50.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.7 t -137.31 102.07 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.97 -122.78 24.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.545 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -97.34 -10.0 26.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -98.99 168.03 10.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -172.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.4 mt -120.0 129.89 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.223 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.1 mt -117.12 120.21 64.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 57.5 mt -108.91 126.19 52.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -106.95 112.77 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.1 mtp -112.48 134.23 21.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.499 0.666 . . . . 0.0 110.897 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.83 145.24 31.88 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -51.8 -34.73 41.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.819 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.71 -25.35 68.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -165.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 m -109.25 -16.63 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -169.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.0 p -90.2 -59.64 2.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 -174.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -132.38 162.26 31.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -88.79 147.53 24.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.806 -174.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.6 p -64.0 -23.49 67.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.4 p -89.56 -28.04 19.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.794 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 t -160.52 141.59 12.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.21 66.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.3 m -113.44 127.66 56.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.125 168.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.26 133.13 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -169.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.24 156.27 63.16 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -51.32 -41.54 58.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.405 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.0 -36.2 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.28 -37.79 59.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.52 87.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.09 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.71 -43.71 95.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.804 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.0 m -65.93 -43.42 88.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.4 mt -66.67 -29.81 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.5 m -64.33 -40.75 96.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 170.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.508 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -60.62 -38.3 94.81 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.424 172.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.65 -42.53 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 111.095 172.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.28 89.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.3 mmm -61.9 -24.95 67.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 55' ' ' GLY . 96.4 t -89.15 -45.1 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.192 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.77 -35.77 82.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.84 -35.55 74.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -75.09 -32.22 61.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -122.02 80.33 42.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.73 0.776 . . . . 0.0 110.899 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.63 -4.78 15.3 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.392 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -91.02 7.82 38.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.2 p -120.54 150.68 40.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.94 156.09 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.132 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.46 130.42 68.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 109' ' ' ARG . 53.6 t-20 -119.89 119.97 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 172.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -111.55 123.58 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.069 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.46 HG12 ' HB2' ' A' ' 111' ' ' GLN . 71.9 mt -120.3 124.25 72.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.64 140.58 15.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.495 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -159.77 164.1 34.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.933 0.397 . . . . 0.0 110.916 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.054 173.934 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -54.57 -49.06 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.871 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.54 -46.91 80.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.97 -38.21 87.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -64.5 -45.61 86.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.7 ttm -53.89 -39.16 65.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.801 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.07 -46.41 81.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.96 -40.11 92.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 171.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.4 m -62.05 -37.54 85.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -61.56 -40.94 96.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.42 -46.74 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -67.32 -32.92 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.94 -43.13 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 173.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.94 -34.95 79.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 177.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -64.63 -38.34 90.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.34 -47.49 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.186 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.9 93.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.02 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m -60.87 -43.96 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.899 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.75 82.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.64 -42.78 97.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.7 -41.29 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.5 m -64.08 -31.54 72.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -84.31 3.89 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.24 9.69 55.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 169.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.3 t -81.39 129.93 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 111.131 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -54.61 122.47 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.27 -32.27 68.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -70.64 -17.86 62.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -95.0 -7.39 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 80.6 mt -97.51 128.43 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 91.5 mmt-85 -128.62 131.03 48.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 167.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.566 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 81.2 p -126.88 141.88 51.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.46 ' HB2' HG12 ' A' ' 71' ' ' ILE . 49.2 mt-30 -137.41 144.96 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.25 131.65 9.86 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.414 172.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.0 mt -130.26 155.01 46.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.908 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.86 -165.28 13.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 166.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -49.96 128.32 21.68 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.78 -70.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -127.36 105.53 21.62 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.706 0.765 . . . . 0.0 110.889 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.45 165.8 24.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 177.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.4 mt -98.84 -49.93 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.604 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -131.98 169.24 16.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -175.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.438 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 35.0 t -64.98 137.72 57.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 -175.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -74.61 -3.45 31.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p -75.13 -8.01 55.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.7 p -119.64 153.78 35.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 174.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.12 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.66 -39.75 91.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.604 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.0 -41.68 99.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.48 -44.17 93.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.46 93.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -72.68 -30.52 64.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -172.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -72.41 -9.51 58.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -169.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -89.44 108.0 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 172.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -144.16 143.79 31.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -160.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 86.3 t -123.39 137.05 57.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 171.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -115.64 131.15 57.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.449 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 85.7 mt -114.86 120.68 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.0 m -113.92 119.72 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.8 tt -115.66 116.8 28.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.6 p -150.24 155.13 37.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 -170.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.4 136.52 56.04 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.645 2.23 . . . . 0.0 112.295 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 51.4 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.52 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.877 0.37 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 t -92.85 126.7 38.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.68 121.49 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.8 m -120.07 135.61 54.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -105.57 128.02 53.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 171.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -136.58 103.94 5.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.28 -122.71 24.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -171.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -96.59 -13.12 23.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 110.895 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -96.15 167.41 11.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -172.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.1 mt -124.02 131.79 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.04 122.24 69.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.3 mt -109.93 130.46 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -116.11 112.85 22.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 175.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 60.9 mtm -106.9 135.97 19.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.534 0.683 . . . . 0.0 110.849 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.67 141.93 38.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -55.94 -33.76 65.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -57.84 -26.43 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -164.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 m -115.61 -9.76 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -174.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -108.01 -56.68 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -175.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -133.44 -177.14 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -170.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -133.08 126.55 32.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 172.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.0 m -57.38 -26.7 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.8 m -73.58 -35.29 65.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -153.83 128.78 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 176.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 90' ' ' ARG . . . -74.21 69.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.6 m -111.85 125.14 53.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 169.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.88 132.39 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -85.54 155.4 59.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.538 0.685 . . . . 0.0 110.84 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.52 -41.3 68.81 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.687 2.258 . . . . 0.0 112.414 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.05 -33.69 74.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.16 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.54 -38.31 57.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.547 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.44 84.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.319 . . . . 0.0 111.055 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.54 -43.73 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.1 m -65.44 -41.66 93.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.36 -32.54 74.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -64.63 -40.29 95.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.56 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -60.53 -39.99 97.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.436 172.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.82 -41.31 92.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.693 0.282 . . . . 0.0 111.041 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.44 85.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.048 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.5 mtp -63.45 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 55' ' ' GLY . 90.0 t -88.43 -47.4 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.158 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.95 -39.3 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -63.48 -30.51 71.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -75.93 -27.07 57.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -120.0 81.06 27.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.698 0.761 . . . . 0.0 110.881 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.68 -9.16 25.22 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.716 2.277 . . . . 0.0 112.395 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.1 4.08 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 177.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.6 p -121.88 159.56 26.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.17 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.71 150.31 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.6 t -110.63 124.31 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 109' ' ' ARG . 55.7 t-20 -114.81 117.91 32.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 173.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.1 t -106.06 121.73 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.404 HG12 ' HB2' ' A' ' 111' ' ' GLN . 82.1 mt -118.96 120.79 65.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -176.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.3 135.16 12.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.481 172.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -149.67 163.14 38.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.045 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.126 166.791 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -55.01 -45.59 75.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.68 -48.81 79.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.39 -40.2 95.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.81 -43.1 94.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -177.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 68.1 mtm -53.99 -43.08 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 171.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.79 -46.77 74.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.964 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.42 -41.06 93.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 173.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.2 m -63.01 -39.94 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -65.68 -40.03 91.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.924 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.33 -47.83 77.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 18.2 ptp180 -65.31 -32.5 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.636 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -60.64 -42.9 97.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 176.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.28 -37.89 89.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.6 m -65.02 -39.98 94.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.14 -46.57 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.95 92.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -61.02 -44.17 97.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.2 87.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.098 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.67 -42.21 98.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.11 -40.66 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 176.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.4 m -63.11 -32.81 74.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 176.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -84.75 6.23 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.28 10.55 51.02 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 168.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.23 131.38 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 111.172 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.41 126.1 26.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 175.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -27.27 65.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.8 p -69.78 -21.61 63.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -92.53 -9.76 40.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.4 mt -94.68 128.14 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 91.2 mmt-85 -128.38 132.44 48.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 168.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.636 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 73.1 p -129.57 142.21 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HB2' HG12 ' A' ' 71' ' ' ILE . 54.5 mt-30 -137.25 148.08 46.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -118.03 128.21 7.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 173.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 89.1 mt -133.2 156.8 46.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.12 -159.49 32.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 168.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -53.5 131.89 45.96 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.668 2.245 . . . . 0.0 112.291 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.94 -67.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -131.43 108.92 14.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.692 0.758 . . . . 0.0 110.927 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.07 153.01 67.94 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.61 2.207 . . . . 0.0 112.398 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.1 mt -96.62 -46.92 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.98 171.86 10.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.8 t -67.44 134.83 52.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -75.08 -6.01 47.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 175.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.5 p -75.72 -9.26 58.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.3 p -119.43 152.42 36.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 174.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.76 -37.41 86.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.059 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.06 -41.27 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.76 -40.89 97.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -62.55 -40.53 97.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.992 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.4 98.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.7 -26.91 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -80.66 -8.6 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -91.84 79.96 5.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 170.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -136.8 158.93 43.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.82 154.54 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -116.61 132.06 56.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.2 mt -117.03 122.06 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 169.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.0 m -112.02 124.22 51.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 48.6 tp -112.94 120.52 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.0 p -154.38 152.74 26.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 110.774 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.36 134.18 50.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.635 2.223 . . . . 0.0 112.337 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 -179.057 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.899 0.38 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -97.56 123.16 41.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.56 123.13 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 -174.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.2 m -119.99 136.88 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -104.74 134.55 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 171.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -140.34 99.42 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.785 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.94 -123.28 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.526 -173.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -97.8 10.51 39.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -102.39 154.06 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.3 mt -117.73 124.26 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.8 mt -115.76 120.68 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.6 mt -103.3 121.9 43.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -104.09 109.99 22.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.6 mtt -119.82 138.83 27.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.431 0.634 . . . . 0.0 110.972 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.49 136.8 24.37 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 176.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -68.47 -24.02 64.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -61.71 -23.82 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.763 -170.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.0 m -112.38 -5.76 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.8 m -102.23 -48.75 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -174.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -115.79 151.24 35.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.46 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 66.8 t0 -71.61 133.97 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.858 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.1 p -70.68 -22.54 62.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.3 p -92.19 -6.58 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.0 t -174.44 143.1 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.47 60.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.04 173.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.4 m -116.58 138.83 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 162.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.33 135.48 56.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 97.0 mttt -73.67 152.89 89.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.67 . . . . 0.0 110.861 173.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.79 -40.3 74.91 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.347 175.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.74 -27.45 69.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.66 -37.53 30.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.77 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.063 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.14 -40.44 96.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.1 m -60.11 -45.46 92.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.16 -28.96 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.964 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 100.0 m -65.01 -39.95 94.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 172.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -61.61 -39.08 96.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 170.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.52 -40.07 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 111.036 172.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.01 76.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.059 174.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.4 mmm -64.42 -19.44 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 55' ' ' GLY . 95.1 t -93.79 -54.3 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -173.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.7 tp -68.29 -33.91 75.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -67.29 -39.77 86.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -77.67 -27.5 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -120.76 77.12 29.05 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.724 0.773 . . . . 0.0 110.937 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.85 -7.06 20.39 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -87.24 8.45 24.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.3 p -123.83 160.09 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.456 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -114.42 142.99 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 176.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.48 121.3 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -117.26 115.27 24.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.35 121.38 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -177.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 85.1 mt -122.68 124.12 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.87 136.43 13.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.56 178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -155.97 158.95 38.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.966 0.412 . . . . 0.0 110.953 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.6 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.105 175.172 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -52.78 -47.11 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.18 -49.21 76.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.9 -41.41 95.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.48 -52.12 62.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.4 ttp -46.07 -44.86 15.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.19 -45.51 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.4 mt -60.45 -38.09 83.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.416 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 67.8 m -64.78 -39.33 93.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -56.96 -41.03 77.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 174.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -67.09 -43.58 82.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' A' ' 87' ' ' SER . 87.9 mtm180 -63.54 -37.62 88.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.55 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -63.44 -43.81 96.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 176.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.4 -36.67 83.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.1 m -64.86 -39.75 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.91 -48.4 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.104 176.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.55 -42.28 98.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.8 m -59.06 -46.69 87.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.44 87.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.108 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.42 -44.72 95.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.929 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.41 -41.65 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.6 m -62.96 -33.27 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.138 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -87.1 19.05 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.98 4.76 66.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 165.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.4 t -81.25 131.68 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 111.081 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -58.4 121.42 10.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.79 -29.65 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.3 p -71.35 -18.84 62.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -174.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -95.52 -8.12 36.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.5 mt -93.14 135.37 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -127.74 130.62 49.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.775 166.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.55 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 82.1 p -130.95 144.53 51.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -146.84 142.82 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.11 130.84 9.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.524 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.4 mt -128.77 155.55 44.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.45 -160.93 28.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 167.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -49.24 128.39 19.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.99 -69.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -131.63 109.69 14.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.644 0.735 . . . . 0.0 110.93 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.94 158.74 42.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.0 mt -95.54 -45.5 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.403 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -135.6 168.83 18.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -64.44 133.77 53.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -174.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -72.19 -3.75 25.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.921 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.4 p -75.01 -8.27 56.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.7 p -121.39 153.21 38.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.36 87.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.52 -42.08 87.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.47 -41.5 99.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.478 178.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -60.67 -44.64 96.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.891 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.68 96.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -68.21 -29.38 68.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -71.21 -11.47 60.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -171.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -88.81 92.6 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -130.09 147.8 51.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -164.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.93 138.58 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -117.85 137.38 52.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -172.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 75.4 mt -114.79 121.3 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.9 m -110.59 123.9 50.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 -176.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.3 tp -110.98 121.56 45.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 176.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.5 t -143.57 130.76 10.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.85 -173.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.6 145.06 39.65 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.306 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 67' ' ' ALA . 79.2 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.459 -0.02 0 CA-C-O 120.893 0.378 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.9 t -99.34 120.38 39.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.0 t -102.22 121.36 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.8 m -121.05 139.52 53.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -117.42 135.38 53.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -144.09 116.18 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.03 -123.58 31.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -172.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -100.17 -4.52 29.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.812 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -104.65 168.3 9.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.8 mp -122.73 132.6 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.3 mt -118.93 120.25 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.0 tp -108.68 124.64 50.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -105.04 110.05 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 96.3 mtp -107.38 113.62 61.73 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.512 0.672 . . . . 0.0 110.92 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.69 131.9 35.34 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.83 -38.62 91.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -65.21 -29.57 70.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -166.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -108.47 -4.67 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 -170.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.2 p -114.84 -30.44 6.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.13 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -124.06 155.48 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.469 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 8.5 t70 -64.86 145.88 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.7 p -70.47 -25.88 63.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -175.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -91.71 -20.19 21.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.8 t -160.84 149.65 16.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.785 -175.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 90' ' ' ARG . . . -70.03 66.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.195 172.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.4 m -114.85 131.85 56.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 168.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.4 tp -64.07 131.74 48.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.946 -173.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.469 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 96.2 mttt -80.28 155.03 74.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.498 0.666 . . . . 0.0 110.947 171.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -52.16 -40.74 68.32 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 175.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.51 77.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.7 -36.94 67.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.426 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.86 82.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.822 0.344 . . . . 0.0 111.078 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.45 -42.3 96.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.3 m -64.24 -43.27 95.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -63.04 -31.71 72.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 178.398 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -65.15 -40.12 93.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.069 171.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.4 -44.68 96.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 172.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.8 t -56.98 -41.88 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.34 92.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 175.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.5 mmm -66.56 -29.55 69.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.45 -51.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 -174.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.495 ' C ' HD12 ' A' ' 60' ' ' LEU . 4.1 pp -64.61 -24.34 67.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 177.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.36 -34.41 72.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.37 -23.3 65.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.477 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 70.8 m-85 -112.5 96.96 38.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.75 0.786 . . . . 0.0 110.959 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 63' ' ' TYR . 27.4 Cg_endo -62.57 -31.49 79.84 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.256 . . . . 0.0 112.405 -177.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -102.64 87.22 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.993 171.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 t -149.39 160.44 43.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -118.85 146.7 44.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 175.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.9 t -109.59 123.81 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -119.98 114.42 22.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -113.4 119.24 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.9 mt -126.98 130.25 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -129.96 148.85 18.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.574 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -163.63 164.32 24.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.389 . . . . 0.0 110.959 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.125 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -54.03 -50.24 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -175.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.78 -44.28 96.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.6 tp -64.47 -43.45 94.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -63.83 -47.27 81.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.9 ttp -61.99 -41.66 98.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.87 -44.3 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.63 -35.97 81.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.0 m -62.74 -43.13 99.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.411 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 72.8 tp60 -67.41 -37.19 82.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.857 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -66.35 -47.25 74.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.544 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 17.6 ptp180 -65.71 -35.43 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 177.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.466 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -64.69 -41.56 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 173.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -65.91 -33.87 76.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.0 m -64.07 -37.92 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.5 t -60.89 -45.39 98.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.094 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.442 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -60.85 -42.98 98.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.07 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.5 m -58.44 -44.52 89.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.79 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.88 -47.54 82.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.5 pt -70.92 -25.72 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.191 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.1 m -67.16 -36.18 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 169.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -90.01 12.76 16.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.76 10.49 55.26 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 165.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.484 HG22 HD11 ' A' ' 60' ' ' LEU . 89.1 t -83.01 127.99 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -56.91 122.91 13.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.41 -29.49 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -70.6 -15.31 62.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -174.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -94.15 -7.6 41.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.8 mt -101.21 135.75 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 -174.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -127.66 130.93 49.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 170.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.466 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 26.3 p -123.25 131.76 53.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -175.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -134.33 121.44 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.411 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -94.03 136.84 13.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 167.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.85 152.51 50.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.815 0.34 . . . . 0.0 110.924 175.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.51 -163.96 13.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.565 162.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -49.27 124.49 11.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.31 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.03 -64.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -132.57 90.68 32.54 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.574 0.702 . . . . 0.0 110.931 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.72 143.39 47.43 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.8 mm -89.45 -45.38 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.51 166.97 23.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.5 t -66.01 136.19 55.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -171.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.11 -14.4 62.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.1 p -74.99 -10.8 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -169.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.5 p -121.92 151.68 40.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.04 83.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.072 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.83 -39.04 87.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.47 -38.15 95.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.31 -41.35 96.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 175.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.36 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.46 -25.86 64.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -63.98 -29.0 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.03 80.0 6.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.17 149.91 48.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.75 154.16 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -121.05 131.23 54.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 80.8 mt -117.07 121.42 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 172.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.6 m -112.87 126.85 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -175.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.3 mt -104.76 112.27 25.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 41.4 t -166.13 133.41 2.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.911 -175.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.03 135.98 46.29 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.936 -177.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.8 m -101.13 126.24 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.2 t -103.16 122.05 55.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.0 m -121.2 140.5 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -117.14 133.6 55.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -140.82 110.06 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.26 -124.98 28.75 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.538 -170.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -98.37 1.87 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 173.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -100.63 160.03 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.97 127.95 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.1 mt -116.81 120.12 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.5 tp -106.75 125.32 50.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.983 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -104.83 108.61 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.0 mtp -109.76 112.64 58.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.943 -175.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.2 132.73 35.08 Favored 'Trans proline' 0 N--CA 1.466 -0.116 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 172.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -66.3 -33.12 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -66.8 -24.98 66.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.5 t -107.05 -17.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.183 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.8 m -99.25 -42.32 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.119 -176.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -114.31 157.5 22.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -61.64 146.48 48.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.0 p -68.48 -26.43 65.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.2 p -91.74 -17.1 25.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -175.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 t -161.7 142.33 10.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.796 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.06 61.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.163 170.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.0 m -113.36 133.32 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 166.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 tp -58.75 131.28 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.778 ' HE2' ' HA ' ' A' ' 46' ' ' LYS . 10.2 mmpt? -87.77 156.75 52.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.886 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -51.8 -41.66 61.37 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.633 2.222 . . . . 0.0 112.336 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.22 -34.96 75.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.72 -37.52 57.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.33 90.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 111.163 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -65.73 -43.03 90.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.8 m -65.33 -44.17 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 176.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.04 -30.19 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.862 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.3 m -65.23 -38.48 90.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.164 170.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.61 -41.38 97.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.01 -41.11 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.349 . . . . 0.0 111.151 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.26 85.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.2 mmm -64.73 -21.9 66.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.15 -43.11 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.78 -28.89 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.64 -38.63 87.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.95 -32.36 63.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.941 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -120.26 78.24 26.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.764 . . . . 0.0 110.831 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.36 -23.69 75.31 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.764 2.309 . . . . 0.0 112.349 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.89 61.26 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.0 m -138.21 138.8 38.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -101.52 141.14 34.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 174.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.0 t -108.81 126.24 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.071 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -119.62 113.97 21.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.44 120.86 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -176.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.6 mt -124.29 123.13 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.067 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.31 141.47 16.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 172.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -149.94 150.24 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.955 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.187 173.326 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -56.75 -50.61 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.24 -41.78 93.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.4 tp -65.6 -38.49 89.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -61.64 -41.1 97.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -72.01 -42.45 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.76 -45.43 78.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.56 -41.65 98.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 m -63.36 -38.97 93.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -62.67 -40.01 95.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.857 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.72 -40.14 84.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -61.55 -47.18 86.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.24 95.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.13 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -69.39 -32.08 70.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.9 m -64.36 -39.15 93.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 175.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.36 -45.73 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.048 172.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -61.82 -42.82 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.4 m -58.23 -43.95 87.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.22 96.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.093 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.14 -47.33 83.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.8 pt -71.47 -26.01 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.2 m -67.28 -36.84 82.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -90.13 13.19 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -177.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.23 10.24 49.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 163.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.9 t -83.76 126.02 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.165 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -55.78 124.99 19.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.65 -29.53 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.8 p -70.9 -14.05 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -91.8 -5.24 53.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.0 mt -110.22 138.02 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 -172.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -127.91 134.11 49.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.979 170.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.43 HG21 ' HB2' ' A' ' 95' ' ' ALA . 80.7 p -125.29 147.02 49.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 -175.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -147.3 129.96 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 172.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -92.81 132.51 11.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.424 166.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.76 150.66 50.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.93 -154.28 10.56 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 162.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.86 123.31 12.1 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.03 -65.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -129.69 101.88 18.36 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.57 0.7 . . . . 0.0 110.972 171.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -55.42 141.33 82.31 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.66 -49.15 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.83 165.62 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.43 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 40.8 t -66.59 135.03 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -169.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.01 -15.73 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 174.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.2 p -75.75 -9.65 58.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.9 p -122.41 152.38 40.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.69 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.83 -38.61 86.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.77 -38.21 95.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.556 176.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 131' ' ' ASN . 97.6 mttt -61.85 -40.61 95.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.743 0.306 . . . . 0.0 110.901 175.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.33 94.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.75 -26.62 64.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 128' ' ' LYS . 18.8 t-20 -61.98 -30.43 70.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 177.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -88.91 83.15 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -134.63 142.06 46.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -172.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 80.7 t -122.14 136.15 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 170.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -116.57 134.89 54.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -173.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.1 mt -116.68 122.37 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.084 176.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -110.18 124.81 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.9 mp -103.68 113.66 27.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.624 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 44.3 t -161.21 124.43 1.87 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.726 . . . . 0.0 110.959 -177.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 65.4 Cg_exo -54.68 134.49 62.73 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.266 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.592 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.3 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.889 0.376 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -64.27 -31.28 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.5 mmm -70.66 -33.17 70.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.825 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -70.26 -31.97 69.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 65.4 t -71.62 -47.37 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -66.0 -40.38 91.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.93 -42.24 98.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.16 94.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.02 -42.14 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 175.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.94 -35.57 81.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.1 -44.57 94.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.03 -42.02 94.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.22 -28.32 69.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 79.2 mtm -102.84 0.61 32.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -84.5 88.62 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.47 -178.04 42.55 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.5 p -89.28 -15.71 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 111.115 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.18 -12.94 44.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.426 -170.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.6 t -98.75 133.28 41.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.359 . . . . 0.0 111.134 174.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.0 t -98.18 120.83 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG22 ' HG ' ' A' ' 30' ' ' LEU . 64.9 t -106.55 115.91 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.6 p -125.07 153.87 42.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -173.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -116.7 136.12 53.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -134.94 105.64 6.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.78 -121.86 12.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -170.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -105.49 5.65 31.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.825 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -110.76 166.0 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 82.3 mt -123.9 132.15 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.9 mt -118.68 124.22 72.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.468 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 9.5 mp -105.52 128.07 53.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -111.96 113.1 25.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.1 ptm -132.06 139.03 33.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.524 0.678 . . . . 0.0 110.877 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.28 140.02 17.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.312 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -74.86 -39.21 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -63.77 -28.25 69.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -170.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.98 -23.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 -19.51 12.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -167.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.77 158.56 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 39.0 t0 -61.73 152.05 32.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.4 p -75.14 -24.81 58.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.2 p -92.97 -25.64 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -173.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -155.17 157.65 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.04 64.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.087 171.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.4 m -110.4 125.22 53.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 170.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -66.42 134.54 52.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 -172.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 98.1 mttt -91.15 160.12 38.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 170.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.27 -40.77 69.22 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.62 2.214 . . . . 0.0 112.343 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.99 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.25 -36.42 70.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.95 82.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 111.082 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.22 -43.42 91.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.6 m -64.21 -44.78 90.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.01 -32.47 74.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.6 m -65.39 -39.75 92.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 173.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.98 96.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.99 -41.65 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 111.119 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -59.81 -38.31 81.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 178.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.18 -24.53 67.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.79 -48.13 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 -173.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.449 HD23 HG11 ' A' ' 103' ' ' VAL . 36.9 tp -67.19 -35.03 78.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.06 -37.53 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -81.53 -20.63 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -113.83 82.34 6.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.81 -16.08 37.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.7 5.1 44.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -122.83 155.17 37.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.198 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.2 149.16 46.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.2 t -109.29 126.62 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -116.19 118.74 33.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.03 123.45 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.4 mt -127.44 125.14 65.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.469 ' HA3' HG12 ' A' ' 134' ' ' VAL . . . -124.05 157.82 18.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -149.99 146.2 26.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 0.0 110.897 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.6 p -142.93 147.73 35.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 169.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -114.33 -49.96 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.7 p -83.51 23.45 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -175.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.4 p -92.68 -54.06 3.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.068 169.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.26 -157.51 10.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 170.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.69 162.2 48.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.12 -50.96 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 -169.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.22 -43.3 96.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.1 tp -64.52 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -65.59 -38.65 90.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -59.2 -40.16 84.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.27 -44.33 79.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.49 -42.35 98.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.3 m -64.67 -40.31 95.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.457 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 67.1 tp60 -67.07 -36.0 81.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -65.04 -39.47 93.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -61.78 -40.09 93.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 172.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.561 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.23 -43.56 98.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -64.47 -37.48 87.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m -64.33 -39.89 94.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.31 -47.78 90.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.143 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.07 99.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -61.08 -44.67 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.21 -46.39 89.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 57' ' ' ALA . 95.7 mt -62.2 -44.96 95.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.7 -39.25 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.0 m -61.49 -33.0 73.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -86.05 7.93 22.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.5 9.7 56.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.449 HG11 HD23 ' A' ' 60' ' ' LEU . 85.0 t -80.62 129.25 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.152 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -58.52 126.56 28.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.55 -24.54 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.0 m -63.28 -24.37 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -100.64 -0.21 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -173.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.2 mt -101.97 124.62 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -126.07 121.88 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 175.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.561 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 66.0 p -131.35 146.79 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -141.87 135.75 29.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.457 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -95.11 115.0 5.0 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 174.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.6 tp -123.05 144.82 49.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 -177.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.54 -165.99 29.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.03 135.18 42.77 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -144.96 -45.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -144.81 73.22 15.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.534 0.683 . . . . 0.0 110.833 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.55 129.57 34.48 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.401 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 89.3 mt -55.95 -42.46 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.04 170.52 15.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.4 t -72.84 136.96 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -74.86 -2.01 24.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.7 p -76.75 -9.58 58.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.8 p -120.65 152.72 37.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.108 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.32 90.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.05 -40.74 87.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.846 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.55 96.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.479 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.96 -42.09 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.99 -37.04 86.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.17 -33.22 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -77.99 -30.39 50.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -175.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.46 63.33 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -141.67 158.47 43.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.469 HG12 ' HA3' ' A' ' 72' ' ' GLY . 24.7 m -125.19 156.33 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -116.8 130.19 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.468 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 89.3 mt -113.23 120.83 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.6 m -107.92 121.71 45.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 47.0 tp -114.9 120.81 41.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.7 p -149.88 149.03 26.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.685 0.755 . . . . 0.0 110.88 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.98 127.44 26.35 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.625 2.217 . . . . 0.0 112.3 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 50.6 tp -171.06 129.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -176.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 92.9 mt -103.42 -5.58 22.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -70.26 133.06 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 -59.98 139.91 57.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -60.01 168.73 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.859 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -117.05 167.39 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -100.51 139.64 35.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -171.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -136.59 144.56 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -176.518 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.5 p90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.903 0.383 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -64.79 -30.38 71.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.5 mmm -70.29 -33.72 71.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -70.88 -31.82 68.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.26 -47.37 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.041 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.6 -39.9 92.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.38 -44.82 95.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.76 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.63 -42.86 95.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.09 -37.33 87.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.39 -40.47 95.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.59 -39.89 94.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -67.75 -27.5 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 78.7 mtm -101.46 0.07 36.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -84.01 88.97 7.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.38 -176.6 44.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.3 p -95.46 -11.98 26.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 111.184 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.13 -12.5 34.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.6 t -97.0 131.61 43.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.064 176.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -94.37 122.86 37.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.411 HG22 ' HG ' ' A' ' 30' ' ' LEU . 62.2 t -106.75 117.16 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -123.7 150.74 43.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.74 137.8 51.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -142.25 109.76 5.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.67 -124.04 30.21 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -174.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -105.01 18.53 22.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.942 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -125.63 165.57 18.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.2 mt -126.73 133.2 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.9 mt -119.57 124.79 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' HG ' HG22 ' A' ' 21' ' ' VAL . 10.6 mp -103.24 126.52 50.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.942 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -110.4 112.37 24.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 27.6 ptm -131.56 139.46 35.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.508 0.67 . . . . 0.0 110.918 -173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HA ' ' HG2' ' A' ' 133' ' ' ARG . 44.0 Cg_endo -72.27 134.14 22.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.736 2.291 . . . . 0.0 112.394 -174.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -72.85 -40.01 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -64.17 -32.44 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -173.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -82.02 -28.61 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.2 p -109.05 -15.67 14.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -166.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -114.88 159.84 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 172.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.65 145.1 55.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.7 p -71.26 -25.97 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -90.72 -23.03 20.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -157.5 155.92 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.457 ' HB1' ' HG3' ' A' ' 90' ' ' ARG . . . -68.92 65.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 170.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.3 m -114.28 128.63 56.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.11 134.93 52.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -176.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -87.37 157.76 52.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.71 . . . . 0.0 110.908 171.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.3 -40.09 78.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.272 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.41 81.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.42 67.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.532 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.08 -34.99 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.65 0.262 . . . . 0.0 111.048 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.74 -43.59 92.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.4 m -64.45 -43.57 93.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.412 HD22 HG13 ' A' ' 94' ' ' VAL . 89.2 mt -64.84 -32.63 74.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.1 m -64.76 -39.14 93.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 172.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.77 -42.0 96.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.4 -41.16 86.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 111.17 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.39 89.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.0 mmm -64.25 -26.36 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.0 t -88.93 -46.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.432 HD23 HG11 ' A' ' 103' ' ' VAL . 31.6 tp -64.71 -35.18 80.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.984 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.45 -36.65 84.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -68.27 -31.51 71.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -118.38 82.45 18.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.95 -9.12 25.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.07 11.08 19.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.7 p -125.17 155.11 40.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.31 155.76 36.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.5 p -109.75 129.57 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -118.64 124.1 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.48 125.33 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -174.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.4 mt -123.03 120.48 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -120.97 150.29 17.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.524 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -151.08 156.64 41.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 110.951 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -157.6 151.41 24.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.085 173.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -116.82 -53.2 2.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.2 p -83.87 55.75 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -174.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.4 m -124.88 -49.96 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.595 ' HA3' HD23 ' A' ' 82' ' ' LEU . . . -164.33 -153.12 7.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.438 169.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.2 163.81 25.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -55.54 -50.75 69.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -173.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.33 -41.28 93.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.595 HD23 ' HA3' ' A' ' 78' ' ' GLY . 62.1 tp -64.97 -39.53 93.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 177.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.38 -45.3 91.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 68.3 ttp -65.34 -42.71 92.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.93 -43.24 79.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.0 -40.34 94.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.7 m -63.92 -39.29 93.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -67.74 -36.1 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -65.41 -41.59 93.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' HG3' ' HB1' ' A' ' 43' ' ' ALA . 99.9 mtt180 -65.04 -38.09 89.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 176.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.721 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.55 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 174.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.75 -36.66 84.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.0 m -64.82 -39.0 92.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.412 HG13 HD22 ' A' ' 53' ' ' LEU . 52.2 t -62.99 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 175.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.11 99.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.4 m -60.19 -44.12 95.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.88 91.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.078 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.77 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.2 -40.69 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.2 m -62.5 -33.61 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -87.79 11.16 16.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.42 9.54 55.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 164.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.432 HG11 HD23 ' A' ' 60' ' ' LEU . 97.9 t -82.11 129.63 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 111.154 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.16 129.37 41.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.37 -24.49 67.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.5 m -65.67 -21.83 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -94.37 -10.06 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.3 mt -101.37 125.8 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -174.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -129.73 126.64 38.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 167.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.721 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 68.6 p -127.06 143.03 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -138.08 134.58 34.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.829 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -117.16 132.5 10.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 170.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.4 tp -139.93 140.68 36.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.346 . . . . 0.0 110.903 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -69.8 -163.62 4.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.495 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.05 118.71 5.63 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.27 . . . . 0.0 112.302 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -136.43 -65.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -140.7 80.74 17.76 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.532 0.682 . . . . 0.0 110.798 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -67.0 139.84 52.55 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 -174.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.27 -42.64 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -125.29 169.02 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.477 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 39.3 t -72.73 136.65 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -74.98 -9.46 58.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 77.7 p -75.65 -10.04 59.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -172.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.5 p -120.54 152.52 37.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.2 86.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.023 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.29 -40.04 93.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.477 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.17 -39.28 96.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.8 -44.71 93.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 110.865 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.97 99.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -69.51 -26.56 64.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -79.14 -20.94 47.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -87.06 62.59 7.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.406 ' HG2' ' HA ' ' A' ' 33' ' ' PRO . 69.0 mtm180 -136.74 157.03 47.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -175.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 10.7 p -127.3 143.3 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 176.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -113.45 129.93 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 88.4 mt -117.11 117.62 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.3 m -113.03 122.26 47.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -173.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.93 123.29 48.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 91.1 p -144.68 149.12 42.33 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.83 -175.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 78.2 Cg_exo -54.33 127.88 27.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.6 2.2 . . . . 0.0 112.31 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 43.7 tp -169.53 129.97 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 93.2 mt -106.45 -10.35 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -79.11 137.08 37.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -59.0 137.11 58.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 174.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -61.49 169.64 2.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -120.26 172.53 7.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -110.09 148.89 30.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -128.7 144.4 51.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -176.243 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.88 0.372 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -65.08 -24.91 67.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.2 mmm -69.38 -35.04 75.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.26 -30.24 67.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.9 t -74.89 -46.92 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.142 -178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.31 -39.2 92.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 174.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.16 -41.73 97.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.61 -43.75 93.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.6 -40.45 96.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 175.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.4 mt -65.01 -35.96 82.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.55 -41.83 95.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.35 -40.0 93.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.93 175.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -67.32 -26.08 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 78.1 mtm -101.7 2.26 38.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -125.61 96.92 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.1 149.22 25.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.1 p -90.77 -1.94 57.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.0 111.219 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.96 -8.62 54.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -174.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.0 t -89.67 135.6 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.363 . . . . 0.0 111.182 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.7 t -95.35 126.27 40.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.4 t -107.68 119.97 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.163 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -122.69 135.88 54.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.48 136.6 48.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -142.82 109.27 5.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.28 -127.01 34.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.498 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.5 p-10 -97.94 5.26 49.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.808 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -116.09 170.46 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.3 tt -141.32 134.97 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -121.26 128.31 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.75 128.24 54.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -101.72 110.13 22.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.7 mtt -110.07 119.05 48.29 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.871 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HG2' HG22 ' A' ' 36' ' ' VAL . 90.4 Cg_endo -72.7 128.62 13.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 171.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -59.65 -26.96 65.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.49 -26.48 68.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -167.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.406 HG22 ' HG2' ' A' ' 33' ' ' PRO . 27.8 m -114.7 -15.12 10.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.4 m -95.51 -53.04 3.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -114.47 172.76 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.98 145.79 51.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 168.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -65.18 -23.98 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.2 p -108.2 -31.16 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.1 m -129.13 152.63 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -169.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.64 57.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.1 m -111.56 126.85 55.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.14 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 50' ' ' ALA . 28.1 tp -69.55 132.87 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.964 -170.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -86.19 157.89 55.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 169.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.59 -44.32 48.31 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.727 2.285 . . . . 0.0 112.376 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.34 83.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.57 -35.19 80.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.443 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' HA ' HD21 ' A' ' 45' ' ' LEU . . . -64.41 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.166 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.41 -48.23 80.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.3 m -66.83 -46.1 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.52 -32.49 74.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.9 m -65.18 -41.74 94.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 173.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.39 -40.18 98.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.494 174.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.49 -43.33 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 111.171 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.52 75.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 82.8 mtp -62.15 -18.48 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -99.37 -42.56 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.424 HD21 HD22 ' A' ' 138' ' ' LEU . 93.2 mt -66.67 -37.37 84.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.02 -45.53 94.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -82.61 -22.4 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -173.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -106.33 95.12 10.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.676 0.75 . . . . 0.0 110.882 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -76.48 179.62 6.23 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 55.02 35.24 24.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.6 m -127.45 134.87 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 -174.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -103.18 138.27 40.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.421 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 60.2 t -109.23 126.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 176.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -118.55 114.95 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.3 t -108.27 118.64 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 92.0 mt -130.19 125.1 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.42 150.99 17.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.543 172.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 29.6 p90 -139.45 141.0 37.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 0.0 110.889 -179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.8 t -170.71 145.88 2.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.059 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -107.21 -53.7 2.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -167.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.7 p -76.38 -7.8 55.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -167.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 48.1 p -88.41 43.88 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.119 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.621 ' HA3' HD23 ' A' ' 82' ' ' LEU . . . 111.08 175.25 20.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 173.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.02 175.02 32.43 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -54.1 -46.8 72.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 -173.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.13 -45.46 94.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.621 HD23 ' HA3' ' A' ' 78' ' ' GLY . 55.6 tp -67.33 -37.22 82.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -63.99 -41.2 97.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -60.07 -39.12 84.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 173.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.61 -45.88 74.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.68 -41.6 99.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -62.33 -40.48 96.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.448 ' HB2' ' HA3' ' A' ' 112' ' ' GLY . 73.2 tp60 -61.66 -44.58 96.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.79 -46.8 70.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.965 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -68.09 -37.94 81.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.91 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 175.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.66 -32.54 73.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.856 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.6 m -66.86 -36.25 81.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.23 -47.26 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.06 97.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.2 m -60.36 -42.56 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.51 80.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.46 -42.64 99.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.958 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.441 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 91.0 mt -67.02 -39.9 84.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.6 m -60.01 -33.72 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -89.97 13.54 14.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.51 9.97 32.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 160.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 86.8 t -84.66 129.84 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 111.176 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -60.52 132.33 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.62 -28.76 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 79.0 p -69.16 -15.1 63.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -87.56 -13.99 41.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.913 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.421 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 83.6 mt -114.95 134.81 56.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 -173.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -133.77 129.19 36.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 170.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.8 p -122.97 149.46 44.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -173.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -139.87 142.54 36.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 172.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.448 ' HA3' ' HB2' ' A' ' 88' ' ' GLN . . . -92.2 114.93 4.68 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.553 172.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 82.3 mt -128.6 154.62 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.57 -165.03 27.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.48 173.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 75.0 Cg_exo -50.53 133.3 37.58 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.253 . . . . 0.0 112.349 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.94 -65.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -129.72 79.61 73.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.692 0.758 . . . . 0.0 110.89 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.32 156.86 60.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 97.4 mt -88.22 -48.2 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -135.37 163.93 28.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 -178.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.736 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.7 t -65.29 140.06 58.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -175.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -75.82 -2.46 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 83.8 p -78.0 -8.57 58.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.8 p -118.7 156.43 29.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.195 174.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.74 95.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.37 -38.93 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.736 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -65.11 -39.23 96.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.526 176.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.03 -41.1 97.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.894 0.378 . . . . 0.0 110.927 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.05 -51.51 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -71.45 -20.37 62.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.9 -35.47 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -90.17 89.91 7.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -140.09 149.81 43.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -175.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.12 130.47 73.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -118.9 133.11 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -172.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 5.1 mp -111.84 124.77 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 90.7 m -108.97 123.74 49.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 60' ' ' LEU . 36.5 mt -108.49 117.0 33.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -178.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 43.4 t -162.12 128.48 2.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.647 0.737 . . . . 0.0 110.951 -174.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.4 128.81 17.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.99 -12.95 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 50.1 mt 56.6 38.93 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -164.17 164.96 22.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -150.7 145.51 25.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -118.54 -49.53 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -172.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -172.03 161.56 5.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -149.03 138.89 21.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -155.01 164.99 38.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 175.309 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.87 0.367 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -60.94 -43.3 98.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.2 mmm -72.46 -30.39 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.803 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.9 -34.19 77.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.7 t -76.98 -45.73 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -65.2 -40.78 94.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.44 -45.88 92.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.34 93.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 -178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.73 -42.41 99.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.4 -40.85 93.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.7 -38.26 89.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.72 -40.86 96.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.85 -21.24 65.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.7 mtt -94.12 7.53 44.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -126.56 100.05 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 170.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.38 149.98 26.31 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.449 174.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.5 p -97.45 1.2 48.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 111.207 176.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.04 -6.09 34.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.3 t -93.98 134.13 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.913 0.387 . . . . 0.0 111.042 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.2 t -97.08 125.81 41.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.9 t -105.78 120.54 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.2 m -124.21 138.88 54.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -108.3 132.67 53.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 t -140.03 108.41 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.53 -124.95 30.39 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.46 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -93.95 -12.62 28.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -99.09 164.55 12.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.793 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.7 mt -128.75 131.17 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.114 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.68 123.48 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mp -107.43 127.34 53.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.91 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -101.4 110.49 22.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.9 mtt -111.22 124.38 32.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 -174.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -73.37 133.59 19.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 170.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -56.04 -31.45 63.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -58.22 -25.13 61.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -166.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -112.63 -14.98 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 -176.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.729 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 89.7 m -101.8 -54.17 2.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -123.08 -179.62 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -79.48 169.56 17.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 99.1 p -70.16 -27.62 64.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.4 p -125.86 -10.97 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.8 t -134.12 142.41 47.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 -170.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.543 ' HB3' ' HG3' ' A' ' 89' ' ' GLN . . . -79.15 60.76 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.088 171.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.4 m -105.5 118.59 36.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.2 174.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -64.73 132.38 49.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -169.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -95.0 160.21 31.44 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.593 0.711 . . . . 0.0 110.842 171.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -53.15 -48.74 20.47 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.328 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.729 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -69.26 -33.64 73.76 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 176.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.84 85.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -65.09 -44.22 89.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.4 p -71.75 -37.21 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -64.83 -33.78 76.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 174.379 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.1 m -65.42 -39.26 91.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 172.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.93 -42.07 98.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.04 -42.34 96.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 111.143 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.02 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.1 mtp -62.52 -21.99 65.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.3 t -93.28 -47.0 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.22 -40.13 86.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -67.19 -47.52 70.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -80.19 -25.2 39.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -172.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.04 87.41 28.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.671 0.748 . . . . 0.0 110.954 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.454 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 69.2 Cg_endo -70.16 177.15 6.15 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 177.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 94.6 mttt 70.18 19.07 6.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -177.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.1 p -123.87 148.35 46.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 177.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.66 139.13 50.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.97 132.17 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -113.12 122.9 48.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.12 116.85 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.0 mt -132.05 127.8 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.637 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -138.42 155.67 23.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -143.01 157.83 44.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.399 . . . . 0.0 110.902 -171.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.6 t -170.42 151.45 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.065 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -104.97 -62.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -169.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.6 p -81.46 -3.7 53.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -162.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.4 p -90.13 40.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.19 -160.78 19.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.84 -172.4 39.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.399 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -58.59 -55.06 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.71 -43.51 88.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.28 -39.98 89.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -175.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -62.92 -43.65 98.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.4 mtp -64.39 -35.73 81.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.12 -42.14 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.9 -39.43 93.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -63.07 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -63.49 -43.05 98.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.543 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 62.6 tp60 -69.67 -43.14 73.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -64.32 -41.29 96.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -64.41 -42.1 96.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 175.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -69.77 -31.9 70.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.3 m -64.55 -36.32 83.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.95 -45.17 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.125 171.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.57 99.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.055 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -58.8 -42.36 88.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.97 -44.35 93.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.34 -41.96 99.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.58 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.5 m -61.98 -33.23 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -84.04 -0.5 51.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.17 10.55 36.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.7 t -83.13 128.05 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 111.158 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -64.4 133.38 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.13 -24.42 64.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.1 p -69.57 -17.95 63.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -92.02 -6.77 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.7 mt -112.95 133.69 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -175.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -132.97 131.78 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 168.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.574 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 73.3 p -127.71 145.16 50.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -139.86 131.56 27.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.07 87.83 1.57 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 169.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.8 mt -109.95 153.48 24.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -69.85 -178.91 23.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -55.11 133.84 60.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.24 -51.25 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -132.74 82.51 55.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.843 170.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -52.0 118.84 4.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.245 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.9 mt -55.59 -52.11 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -141.67 162.27 35.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 -176.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.728 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.4 t -67.45 138.38 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -78.83 0.91 25.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.4 p -76.65 -6.8 53.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.4 p -119.01 156.26 29.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 173.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.42 96.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.121 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -65.82 -40.99 92.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.728 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.99 -40.42 99.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.48 -41.02 84.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 177.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.9 -47.27 78.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -64.39 -27.25 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -176.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -77.35 -20.99 54.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -90.13 72.24 7.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -139.04 149.58 44.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -171.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.637 HG22 ' HA3' ' A' ' 72' ' ' GLY . 93.8 t -125.59 133.09 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 174.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -116.4 135.0 54.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -175.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 85.6 mt -115.68 122.74 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.5 m -114.53 123.5 49.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -173.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.68 128.2 53.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.5 t -148.78 119.86 4.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -174.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.52 131.13 40.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.371 171.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 98.3 mt -122.82 -22.55 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 65' ' ' LYS . 50.7 mt 60.04 29.65 19.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -169.96 164.64 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -118.04 155.71 29.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -127.2 -55.24 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -177.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -174.85 151.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -149.92 179.72 7.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.785 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -152.29 165.05 36.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 177.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -178.287 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.6 -43.31 97.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.7 mmm -72.75 -29.72 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -67.2 -33.78 76.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.906 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.3 t -77.57 -45.38 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.84 -40.96 96.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.56 -41.96 99.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.895 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.96 95.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.03 -40.64 96.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.912 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.96 -37.45 87.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.83 -41.87 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.35 -40.38 93.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 174.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.01 -22.07 65.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.0 mtt -94.42 6.7 47.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -175.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -126.23 99.97 6.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.878 169.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.32 144.58 14.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.8 p -93.61 -9.38 38.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 111.212 176.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.88 -10.34 29.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.532 -175.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.5 t -90.21 131.34 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 176.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t -95.34 125.45 39.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.9 t -112.6 121.63 65.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.9 m -123.01 136.31 54.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -108.79 138.47 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.8 t -147.12 116.33 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.52 -126.34 41.87 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.524 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -99.5 10.8 40.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -122.09 171.7 8.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 tt -141.46 135.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.5 mt -119.95 126.97 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mp -104.94 124.2 49.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -104.13 116.05 31.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 74.9 mtm -122.68 132.81 24.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.691 . . . . 0.0 110.892 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.8 143.98 63.43 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.709 2.272 . . . . 0.0 112.394 173.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -51.42 -35.81 40.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.42 -25.59 67.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -166.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.32 -20.63 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 -170.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.2 m -103.08 -47.02 4.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -115.33 176.33 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.45 ' HB3' ' H ' ' A' ' 42' ' ' SER . 25.6 t0 -78.42 161.36 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.809 175.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.4 p -67.85 -25.63 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -176.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.0 p -128.29 -13.64 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 -175.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.45 ' H ' ' HB3' ' A' ' 39' ' ' ASP . 30.1 t -127.31 143.06 51.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -173.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.9 59.61 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 168.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.5 m -114.58 126.47 54.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 173.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.49 136.35 54.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -89.79 160.0 42.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 171.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -50.45 -44.0 41.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.751 2.3 . . . . 0.0 112.257 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.05 79.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.074 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.95 -37.96 60.3 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.421 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.25 83.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.55 -44.52 93.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.1 m -66.32 -40.18 89.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -62.84 -32.04 73.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 178.65 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.6 m -65.0 -40.22 94.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 172.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.97 -39.7 97.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.539 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.22 -42.28 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.18 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.51 -20.82 65.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.4 t -92.93 -48.61 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.6 -43.67 84.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.95 -47.26 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -80.61 -23.88 39.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -120.18 81.67 29.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.688 0.756 . . . . 0.0 110.879 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.464 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 41.3 Cg_endo -68.22 171.1 13.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.293 178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 142' ' ' LEU . 95.8 mttt 67.57 22.58 9.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -169.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 140' ' ' PRO . 90.5 m -120.7 134.3 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.13 137.53 42.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 -175.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -108.45 128.56 63.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 171.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -118.32 125.34 49.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -108.7 116.63 52.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.5 mt -130.29 128.63 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.509 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -142.74 157.94 26.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -141.35 146.64 36.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 0.0 110.88 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -154.17 145.85 23.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.063 172.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -107.62 -46.76 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -173.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 81.5 p -68.32 -13.72 62.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -172.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.5 p -92.21 41.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -176.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.28 -167.68 13.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.473 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.53 177.46 51.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -54.95 -49.45 71.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 -173.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.85 -46.5 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -65.75 -43.21 89.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.877 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.1 ttm -57.63 -38.44 75.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.17 -43.35 82.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.7 tp -60.84 -45.17 95.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.6 m -64.53 -35.95 82.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -60.92 -42.52 98.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 174.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -69.24 -41.32 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -61.57 -45.4 94.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.478 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -64.05 -42.79 96.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -69.99 -32.63 70.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.6 m -61.66 -41.54 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.42 -43.41 98.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.96 94.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -59.54 -42.44 92.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.21 92.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.81 -42.05 96.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.66 -41.11 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.04 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.5 m -63.31 -33.28 75.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -85.0 3.75 37.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.84 10.52 37.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 167.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -84.67 129.68 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.196 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -63.9 132.58 51.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.91 -23.54 65.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.5 p -72.06 -13.34 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -95.6 -5.23 43.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.2 mt -109.73 134.15 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 80.2 ttt-85 -134.99 122.12 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.957 171.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.478 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 73.7 p -122.09 148.08 45.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 -176.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.04 132.18 14.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.3 134.46 12.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.525 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 89.6 mt -130.95 146.9 52.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.954 0.407 . . . . 0.0 110.831 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.13 -166.27 28.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.473 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -58.98 135.83 69.3 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.97 -64.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -136.33 82.32 35.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.89 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -54.73 127.44 26.16 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.282 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.1 mt -55.15 -41.67 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.21 169.24 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.033 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.9 t -70.48 135.65 48.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -77.1 0.65 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.886 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.8 p -78.52 -7.31 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.9 p -119.07 153.74 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.2 94.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.107 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.39 -40.92 81.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.35 -39.86 98.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.89 -42.02 92.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.927 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.28 93.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -68.1 -28.36 67.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -75.03 -19.13 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.8 71.24 9.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -136.98 146.51 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.509 HG22 ' HA3' ' A' ' 72' ' ' GLY . 89.5 t -129.56 139.18 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 175.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -117.09 139.48 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -173.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.7 mt -114.56 126.56 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.9 m -109.72 124.78 51.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 81.8 mt -112.5 118.91 36.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.975 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.3 t -145.5 124.05 6.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.707 0.765 . . . . 0.0 110.89 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 72.6 Cg_endo -70.42 134.14 25.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.32 173.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt -120.91 -33.62 3.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 -176.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.518 ' HA ' ' HB3' ' A' ' 65' ' ' LYS . 40.0 mt 62.97 25.92 15.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.999 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -168.84 160.31 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -133.72 160.58 37.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.802 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -133.54 -46.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -164.69 144.05 7.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -144.33 176.45 9.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.821 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 -154.79 169.45 23.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -176.707 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.874 0.369 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -67.46 -31.87 72.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.3 mmm -70.56 -32.82 70.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -69.27 -34.54 74.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 66.4 t -69.25 -45.05 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.75 -38.2 86.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.36 -42.1 98.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.41 -43.78 92.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.66 -41.29 98.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.934 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -64.68 -36.62 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -60.39 -41.37 93.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -66.12 -40.25 90.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.16 -22.54 64.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.2 mtt -94.02 7.81 43.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -176.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -125.92 99.95 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 169.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.38 145.49 18.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.53 177.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.8 p -106.71 -11.34 15.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.931 0.396 . . . . 0.0 111.231 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.02 -10.68 34.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -173.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.2 t -90.91 131.98 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 52.3 m -99.67 121.44 41.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.847 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -111.55 120.45 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.1 m -121.35 135.79 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -118.67 138.55 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.2 t -147.41 110.98 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.88 -116.51 9.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.445 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -99.99 -13.9 18.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -96.72 169.99 9.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -172.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 tt -142.36 136.01 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -113.44 121.77 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.8 mt -108.14 115.61 30.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 39.6 t-20 -104.13 109.93 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.3 mmm -105.75 137.85 19.45 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.939 -175.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -70.37 131.78 21.06 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.733 2.288 . . . . 0.0 112.312 170.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.407 ' HB2' ' HB3' ' A' ' 132' ' ' ARG . 96.8 m-20 -66.17 -33.7 76.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -172.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -63.78 -23.51 67.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -164.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.7 m -108.74 -8.53 11.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.419 HG23 ' HA3' ' A' ' 49' ' ' GLY . 89.7 m -107.38 -46.86 3.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 -175.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -116.3 165.56 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -80.43 165.03 22.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.846 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.7 p -74.01 -26.51 60.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.0 p -99.88 -30.65 11.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.824 -172.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.5 p -152.76 161.15 42.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -176.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB3' ' HG2' ' A' ' 89' ' ' GLN . . . -74.58 70.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.163 174.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.7 m -109.09 124.96 51.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.82 132.98 48.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -170.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -93.46 160.02 33.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.879 170.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -50.67 -42.76 49.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.75 95.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.419 ' HA3' HG23 ' A' ' 37' ' ' THR . . . -70.23 -37.78 71.69 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.439 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.84 85.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.792 0.33 . . . . 0.0 111.174 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -63.89 -41.69 97.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 83.1 m -65.16 -44.68 87.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.438 HD22 HG13 ' A' ' 94' ' ' VAL . 58.3 mt -65.6 -29.08 69.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.3 m -62.95 -40.08 96.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.217 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.83 -42.1 99.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 172.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.01 -46.21 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 111.146 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.19 -35.29 80.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 62.1 tpp -62.51 -31.79 72.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.2 t -80.44 -46.68 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.8 mt -64.05 -41.82 97.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -68.71 -46.5 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.021 -173.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -82.75 -24.47 33.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.806 -173.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -119.81 82.04 26.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.76 0.791 . . . . 0.0 110.863 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 47.6 Cg_endo -69.5 -178.15 2.11 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.486 ' HB3' ' HA ' ' A' ' 142' ' ' LEU . 96.5 mttt 64.9 21.94 12.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -169.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.8 m -123.92 132.34 53.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.45 138.0 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -111.61 132.75 59.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -121.42 132.29 54.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -114.7 123.7 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.2 mt -129.34 122.54 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -121.89 155.62 16.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 171.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -140.97 157.54 45.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.2 t -167.05 151.09 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.072 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -106.36 -58.58 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -170.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.2 p -91.51 5.85 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -160.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.5 p -94.84 40.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.581 ' HA3' HD23 ' A' ' 82' ' ' LEU . . . 118.54 -163.73 13.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.533 178.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -85.9 179.54 49.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.433 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -55.86 -50.44 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -43.91 91.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.581 HD23 ' HA3' ' A' ' 78' ' ' GLY . 59.5 tp -65.79 -40.1 91.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.38 -39.11 93.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.73 -39.2 90.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.46 -39.76 85.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.15 -38.04 89.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 173.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.6 m -65.75 -35.78 81.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' CA ' ' HA3' ' A' ' 112' ' ' GLY . 72.9 tp60 -64.1 -42.39 96.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.498 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 44.0 tt0 -64.88 -44.02 91.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 174.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -62.26 -45.09 94.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -65.01 -41.4 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -68.42 -32.1 71.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.8 m -62.02 -40.71 96.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.438 HG13 HD22 ' A' ' 53' ' ' LEU . 55.2 t -65.56 -45.78 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.04 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.0 m -61.13 -42.78 99.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.6 -45.51 90.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 108' ' ' ILE . 0.6 OUTLIER -63.0 -41.49 99.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.572 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.99 -39.99 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 176.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.5 m -62.36 -32.61 73.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -81.9 -1.07 46.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.56 12.14 31.41 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 169.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.1 t -80.95 129.77 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.41 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 62.9 t0 -62.93 135.49 57.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.77 -24.98 62.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.7 p -68.38 -18.96 64.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.41 ' HE ' ' HB3' ' A' ' 104' ' ' ASP . 75.0 mtm180 -93.96 -7.36 43.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 98' ' ' LEU . 64.5 mt -117.86 125.03 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -139.42 112.06 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 173.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.483 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 63.6 p -128.37 149.13 50.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -172.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -139.92 145.53 38.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.459 ' HA3' ' CA ' ' A' ' 88' ' ' GLN . . . -89.96 118.88 5.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.0 mt -120.1 148.71 43.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.17 -170.71 41.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -62.37 131.47 34.2 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.643 2.229 . . . . 0.0 112.387 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.0 -64.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -174.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -132.71 81.26 59.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.661 0.744 . . . . 0.0 110.923 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.26 145.29 53.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.281 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.47 -50.18 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.23 163.59 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -175.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.647 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.2 t -68.01 141.96 56.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -73.32 -7.67 52.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.881 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -76.06 -7.04 53.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.0 p -118.41 155.51 30.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.37 95.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.116 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.2 -38.05 84.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.647 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.8 -39.81 98.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 178.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.54 -41.34 89.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 176.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.67 93.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -70.37 -25.44 63.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -78.88 -21.46 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.407 ' HB3' ' HB2' ' A' ' 34' ' ' ASN . 98.1 mtt180 -86.29 61.98 7.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -128.27 144.6 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.9 139.93 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.138 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -113.88 128.43 56.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.4 mt -115.8 119.49 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.6 m -111.95 124.1 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.9 mp -110.59 126.52 54.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.5 t -145.21 124.7 6.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.97 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.14 128.7 16.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.283 174.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.8 mt -119.28 -24.13 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -175.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.486 ' HA ' ' HB3' ' A' ' 65' ' ' LYS . 8.2 mp 58.08 30.4 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -176.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -167.96 165.05 13.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -149.45 143.38 25.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -121.52 -54.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -160.27 162.17 33.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -152.1 175.03 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 175.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -159.95 170.08 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.89 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -60.62 -44.74 95.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.93 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.2 mmm -72.16 -30.43 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.47 -33.64 76.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.1 t -78.74 -46.02 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.93 -40.28 94.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.66 -45.03 95.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.76 95.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.12 -41.9 97.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.78 -41.03 96.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -65.04 -39.68 93.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.98 -42.92 94.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.33 -28.53 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.1 mtt -100.57 4.43 43.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -127.29 97.78 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.798 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.46 152.57 29.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -90.46 -3.89 57.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 111.258 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.01 -3.05 64.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -172.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -92.87 134.06 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 111.187 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 t -93.09 127.77 38.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -106.6 120.05 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.3 m -121.77 136.18 54.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -110.75 139.46 46.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.1 t -147.4 116.39 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.8 -124.69 36.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.9 p-10 -102.26 10.07 39.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -118.49 170.77 8.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 tt -141.77 135.24 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.6 mt -120.49 127.75 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.16 119.74 40.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -104.19 109.34 21.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.1 ptp -120.1 129.83 25.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.871 -174.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 133' ' ' ARG . 91.6 Cg_endo -74.4 143.84 31.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 175.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -56.17 -33.33 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.91 -28.37 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -166.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.31 -21.54 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -171.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 94.5 m -96.39 -52.07 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -175.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -115.68 169.52 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.86 144.84 56.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 169.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.3 p -65.11 -24.99 67.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -176.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.9 p -107.94 -20.5 13.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -173.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -138.31 145.01 40.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 -172.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 90' ' ' ARG . . . -72.01 57.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.069 168.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.5 m -112.43 125.2 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.73 132.48 46.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -169.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -92.05 159.71 37.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.866 172.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -51.91 -44.41 45.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.36 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.16 82.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.79 -35.95 73.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.67 85.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 111.199 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.35 -44.35 95.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.0 m -66.54 -42.93 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -64.67 -29.61 70.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.2 m -64.74 -38.23 90.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.37 -41.13 99.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.535 172.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.55 -43.29 98.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 111.156 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.79 -35.11 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.014 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.5 tpp -58.78 -24.26 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 177.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -93.2 -48.29 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 -174.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.59 -37.23 71.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -67.93 -43.36 79.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 -175.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -81.06 -29.64 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -120.1 84.37 33.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.682 0.753 . . . . 0.0 110.892 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 58.3 Cg_endo -72.43 165.88 31.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.637 2.224 . . . . 0.0 112.316 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 89.1 mttt 71.8 32.94 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -174.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 140' ' ' PRO . 94.4 m -111.99 135.79 52.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.205 176.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB2' HD12 ' A' ' 141' ' ' LEU . . . -87.02 133.16 33.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 109' ' ' ARG . 67.4 t -115.85 124.94 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 -176.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -122.11 110.48 15.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.813 171.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.29 115.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.5 mt -131.04 122.13 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.1 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.579 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -120.07 161.27 14.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 171.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -146.05 150.31 35.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.89 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.1 t -171.05 149.62 2.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.078 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -117.91 -41.15 2.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.9 p -88.36 34.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -169.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.4 p -128.84 39.99 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.665 ' HA3' HD23 ' A' ' 82' ' ' LEU . . . 120.9 -157.54 15.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.527 178.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.93 -172.14 46.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.397 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -60.16 -54.98 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.906 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.79 -41.34 95.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.665 HD23 ' HA3' ' A' ' 78' ' ' GLY . 54.6 tp -65.99 -40.0 90.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.67 -38.81 89.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.3 mmm -72.43 -39.58 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.78 -37.14 81.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.1 mt -66.2 -39.89 89.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -62.28 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.9 -44.07 86.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -70.05 -41.67 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.417 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 91.1 mtt-85 -64.53 -41.16 96.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.77 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -70.1 -31.47 69.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -64.8 -35.15 80.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.898 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.98 -46.41 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 169.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.76 99.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.2 m -59.55 -43.58 93.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.46 91.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.066 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.69 -40.84 96.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.93 -40.18 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.035 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -62.92 -33.03 74.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -82.12 -0.06 42.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.34 11.21 36.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 170.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.8 t -85.26 127.34 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -59.54 133.57 56.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.14 -25.91 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.091 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.0 p -71.28 -17.37 62.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -92.67 -4.97 52.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 51.5 mt -116.38 131.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.424 ' H ' ' HB ' ' A' ' 68' ' ' VAL . 53.0 mtm180 -133.02 140.93 47.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.827 172.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.473 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 59.9 p -134.62 152.78 52.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -176.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -139.72 126.31 20.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 170.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.04 85.54 1.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.544 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.5 mt -101.63 155.87 17.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.84 -173.31 45.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.18 137.16 54.89 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.658 2.238 . . . . 0.0 112.443 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -129.83 -58.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -132.33 78.6 67.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 172.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.66 144.03 76.77 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.15 -54.48 14.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 -173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.495 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -137.47 160.36 39.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -175.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.651 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 30.4 t -67.18 141.48 57.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.0 p30 -74.4 -1.56 21.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.961 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.3 p -76.7 -7.65 55.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.3 p -117.78 154.09 32.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 172.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.26 94.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.12 -41.57 90.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.651 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -61.42 -39.37 97.19 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.523 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.99 -42.5 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.26 -44.0 89.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -66.01 -22.76 66.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -80.94 -21.54 40.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.73 71.28 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.403 ' HD2' ' HA ' ' A' ' 33' ' ' PRO . 39.9 mmm-85 -130.32 144.98 51.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -171.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.579 HG22 ' HA3' ' A' ' 72' ' ' GLY . 92.5 t -127.91 134.77 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 170.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -119.72 134.36 55.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.8 mt -112.35 123.66 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 99.2 m -109.3 121.94 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.108 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 51.0 mt -115.55 121.1 41.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 43.7 t -143.24 118.95 6.47 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 56.3 Cg_endo -70.77 134.24 25.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.617 2.211 . . . . 0.0 112.268 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 67' ' ' ALA . 99.2 mt -126.01 -13.86 6.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 65' ' ' LYS . 62.2 mt 60.7 31.61 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.011 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -166.96 166.41 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -150.5 143.69 24.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -119.99 -55.04 2.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.858 -173.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -159.83 163.94 34.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -161.7 -176.56 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -141.62 171.2 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 176.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -178.042 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -60.76 -43.32 98.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.8 mmm -72.68 -30.29 64.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -66.94 -33.65 76.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.5 t -76.98 -45.67 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.93 -41.27 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.78 -44.24 97.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.63 94.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.076 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.98 -42.0 98.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.5 mt -65.11 -39.14 92.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -59.93 -41.11 91.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.64 -40.64 95.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.97 -21.97 65.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.0 mtt -94.59 7.02 47.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -127.73 100.01 5.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.848 169.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.46 144.05 13.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 174.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.9 p -89.98 -8.65 51.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 111.191 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.08 -16.48 30.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.51 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.3 t -85.17 130.93 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.9 t -90.15 126.16 35.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -106.41 120.47 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.1 m -120.17 133.63 55.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -115.58 139.0 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -149.25 116.07 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.72 -123.26 32.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.498 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -102.09 9.51 40.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -119.36 170.97 8.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.6 tt -141.17 135.17 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.5 mt -115.59 124.95 72.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.7 mt -107.92 120.45 42.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -103.1 108.31 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.472 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 64.7 mtt -108.98 132.22 21.32 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 -170.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.482 ' HA ' ' HD3' ' A' ' 133' ' ' ARG . 34.0 Cg_exo -62.09 133.88 46.42 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.658 2.238 . . . . 0.0 112.395 174.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.46 -31.0 72.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 174.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.3 -23.94 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.403 HG22 ' HB2' ' A' ' 33' ' ' PRO . 23.2 m -114.25 -15.48 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.614 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 96.0 m -101.36 -50.56 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.059 -175.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -111.2 172.0 7.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' HB3' ' O ' ' A' ' 42' ' ' SER . 36.2 t0 -80.2 154.31 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 170.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.3 p -73.27 -24.38 60.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -106.43 -19.85 13.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -173.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 29.6 t -147.2 148.78 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -173.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.66 59.84 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 168.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.5 m -117.37 129.48 55.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.37 137.27 55.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -171.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.64 160.17 50.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.852 168.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -50.2 -46.07 30.41 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.614 2.209 . . . . 0.0 112.372 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.614 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -74.13 -38.44 47.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.434 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.97 84.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.204 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -66.02 -42.01 90.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -64.87 -44.18 90.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.229 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.1 mp -63.32 -34.56 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 176.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 83.4 m -65.54 -40.39 92.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 174.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.81 -41.51 96.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.492 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.82 -41.33 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 173.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.438 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -61.97 -37.24 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.6 mmt -64.36 -22.78 67.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.795 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.6 t -87.33 -44.04 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.89 -33.54 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -75.38 -40.99 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 -174.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -78.25 -30.73 48.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -123.03 77.78 51.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.684 0.754 . . . . 0.0 110.922 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 57.2 Cg_endo -73.12 -178.52 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.6 2.2 . . . . 0.0 112.313 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 88.8 mttt 72.33 34.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -176.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.6 m -126.19 138.36 53.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -93.77 136.68 33.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 -175.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.14 124.91 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.03 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -119.66 116.4 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 173.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -107.52 117.99 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.3 mt -131.66 125.67 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.423 ' HA3' HG22 ' A' ' 134' ' ' VAL . . . -111.48 151.5 17.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.559 173.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.446 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 46.4 p90 -136.47 141.74 43.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 t -171.4 148.54 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -111.65 -50.11 2.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.9 p -88.27 23.45 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -166.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.4 p -109.71 41.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.108 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.534 ' HA3' HD23 ' A' ' 82' ' ' LEU . . . 116.74 -162.45 12.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.36 -174.26 49.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -58.43 -54.45 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.68 -42.66 95.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.534 HD23 ' HA3' ' A' ' 78' ' ' GLY . 52.6 tp -65.93 -37.8 86.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -178.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -62.2 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 99.3 mtp -63.19 -40.47 97.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.59 -43.28 85.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.64 -39.16 93.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.0 t -61.68 -40.53 95.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.446 ' HB2' ' HA3' ' A' ' 112' ' ' GLY . 71.7 tp60 -62.06 -44.66 96.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.909 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.78 -44.32 73.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -65.53 -39.39 91.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.6 98.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.64 -32.98 74.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.8 m -63.75 -36.96 85.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.66 -47.2 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.099 173.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.95 98.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.5 m -58.05 -42.7 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.99 80.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 57' ' ' ALA . 98.3 mt -62.38 -44.05 97.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.9 mt -65.01 -40.78 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 m -63.63 -34.49 77.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -82.62 -0.3 46.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.11 11.91 24.91 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 167.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.1 t -84.74 128.12 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.145 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -57.96 124.6 19.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.14 68.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.5 p -65.67 -18.2 65.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 -170.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -95.33 -5.66 42.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -177.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 79.4 mt -109.47 131.43 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.185 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -132.23 134.81 45.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.2 p -122.54 149.27 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -139.63 130.21 25.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.786 174.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.446 ' HA3' ' HB2' ' A' ' 88' ' ' GLN . . . -85.36 91.86 1.73 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.517 172.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 72.4 mt -106.82 156.24 18.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.63 -164.75 29.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.446 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 34.0 Cg_endo -61.87 136.37 61.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.405 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.98 -64.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -130.73 79.54 71.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.614 0.721 . . . . 0.0 110.853 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -66.86 140.65 56.08 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.27 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.449 ' HB ' ' HB3' ' A' ' 130' ' ' GLN . 97.3 mt -65.69 -46.77 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -178.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.472 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -137.17 160.81 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.755 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 31.4 t -65.96 141.26 58.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.802 -175.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -76.11 -1.55 26.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -76.48 -8.6 57.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.2 p -120.3 156.97 30.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.39 94.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.24 -38.12 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.755 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.91 -37.96 94.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.596 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.04 -40.17 96.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 175.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.78 -46.21 90.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.449 ' HB3' ' HB ' ' A' ' 119' ' ' ILE . 99.6 mm-40 -71.17 -25.85 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -65.1 -34.59 78.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.04 80.45 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.482 ' HD3' ' HA ' ' A' ' 33' ' ' PRO . 90.3 mmt-85 -137.82 148.51 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -173.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.423 HG22 ' HA3' ' A' ' 72' ' ' GLY . 79.9 t -125.85 137.44 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -116.59 136.96 52.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -175.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.0 mt -112.0 124.68 68.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.1 m -108.94 123.8 49.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -175.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 58.5 mt -110.55 120.09 41.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 47.1 t -155.21 118.19 2.43 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.763 0.792 . . . . 0.0 110.888 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.81 122.6 9.26 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.623 2.216 . . . . 0.0 112.311 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.32 -15.19 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 64.3 mt 55.04 41.57 31.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -159.95 164.26 33.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -127.56 143.26 51.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -175.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -134.93 -44.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -163.46 141.1 7.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.853 -175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.33 164.97 38.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -171.77 164.95 6.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 149' ' ' HIS . 85.9 t60 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -60.39 -42.84 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.9 mmm -72.37 -30.42 64.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.79 -33.42 74.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 72.0 t -76.51 -45.54 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.83 -40.89 95.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.64 -42.24 99.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.91 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.17 94.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.13 -41.07 97.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.77 -37.42 87.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -59.37 -41.99 90.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.4 -40.74 93.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 174.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.16 -22.66 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.877 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.0 mtt -94.6 6.78 47.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -175.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -128.31 99.57 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 168.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.59 151.46 28.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.586 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.2 p -91.43 1.85 56.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 111.153 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.23 -12.51 40.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.59 -173.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG21 HG21 ' A' ' 52' ' ' THR . 81.0 t -87.71 135.11 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.009 0.433 . . . . 0.0 111.097 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.8 t -92.71 126.07 37.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.8 t -107.87 120.38 59.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.6 m -123.29 135.28 54.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.21 139.46 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -144.54 109.24 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.54 -123.24 28.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.513 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -95.13 -5.15 44.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -109.66 168.57 9.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.0 tt -142.14 135.04 28.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.9 mt -119.71 127.84 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.5 mp -107.81 127.29 53.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -102.45 108.79 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.7 mtt -106.75 123.85 37.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.923 -171.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.422 ' HG2' HG22 ' A' ' 36' ' ' VAL . 84.4 Cg_endo -75.37 132.53 15.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 173.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.515 ' HB2' ' HB2' ' A' ' 38' ' ' PHE . 2.4 p-10 -59.64 -26.35 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 178.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.93 -27.76 65.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -168.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.422 HG22 ' HG2' ' A' ' 33' ' ' PRO . 33.9 m -119.94 -14.97 8.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.032 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.88 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 97.5 m -100.86 -52.2 3.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -175.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.515 ' HB2' ' HB2' ' A' ' 34' ' ' ASN . 77.6 m-85 -108.76 -178.5 3.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.657 ' HB3' ' O ' ' A' ' 42' ' ' SER . 39.9 t0 -77.58 161.83 27.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 167.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.2 p -74.18 -26.44 60.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.5 p -107.48 -26.05 11.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.799 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.657 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 96.0 p -144.01 159.89 41.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -170.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.564 ' HB3' ' HG2' ' A' ' 89' ' ' GLN . . . -75.99 61.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 169.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.1 m -108.75 119.38 39.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 170.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.45 136.97 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.62 160.35 39.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 168.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -51.58 -47.24 27.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.85 95.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.88 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -74.8 -38.13 42.96 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.419 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.04 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 111.114 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.87 -41.26 95.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.428 HG21 HG21 ' A' ' 19' ' ' VAL . 89.5 m -65.83 -42.48 90.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.225 175.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.74 -33.35 75.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.5 m -64.44 -39.88 94.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.219 173.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.4 97.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.492 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.09 -41.35 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.11 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.97 78.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.6 mtp -62.37 -20.6 64.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.2 t -94.82 -47.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.166 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.98 -38.97 83.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -63.12 -42.05 99.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.049 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -84.68 -28.24 26.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.772 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -109.21 92.36 11.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.699 0.762 . . . . 0.0 110.928 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.11 176.01 9.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.4 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 71.55 25.76 3.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 174.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.9 p -122.37 151.63 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 175.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -108.28 134.57 50.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.454 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 68.0 t -109.58 125.88 66.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 177.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -114.97 119.03 35.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -106.69 117.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.2 mt -132.62 128.45 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.83 152.61 17.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 172.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.444 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 44.8 p90 -137.56 142.9 41.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.908 0.385 . . . . 0.0 110.943 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.2 t -170.48 152.92 4.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -104.76 -63.8 1.18 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -167.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 99.1 p -90.82 3.94 53.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -161.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 47.7 p -88.8 41.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.49 177.03 15.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.22 -175.89 34.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -53.97 -51.18 64.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 110.993 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.31 -43.81 93.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.21 -35.54 78.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -66.08 -41.03 91.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 97.8 mtp -58.89 -39.4 81.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.32 -45.32 73.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.24 -42.25 99.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 174.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -61.19 -40.1 92.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -61.64 -42.38 98.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.564 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 40.0 tt0 -66.87 -48.51 68.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -66.46 -36.29 82.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.39 97.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.72 -32.66 73.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.8 m -63.09 -37.44 87.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.802 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.17 -48.87 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.184 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.08 97.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.048 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.1 m -58.26 -45.75 87.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.04 80.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.147 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.81 -40.55 95.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.17 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.3 m -62.22 -32.47 73.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.65 -0.68 48.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.34 9.9 30.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 169.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.88 127.79 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.136 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -60.95 131.4 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.06 -24.42 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.2 p -68.98 -14.26 62.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -90.3 -18.23 25.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.454 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 73.1 mt -122.53 134.56 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 -173.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -135.66 148.86 49.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 169.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.7 p -126.59 149.2 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -142.17 127.54 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 171.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.84 114.07 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 90.0 mt -126.18 155.45 41.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.38 -163.25 9.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.433 174.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 73' ' ' TYR . 35.3 Cg_endo -62.99 137.4 62.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.8 -65.01 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 -174.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -125.8 84.69 60.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -68.33 160.51 48.73 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.689 2.26 . . . . 0.0 112.311 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.0 mt -94.5 -45.28 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.616 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -142.09 163.53 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.594 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 37.8 t -63.31 137.32 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.771 -174.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -77.39 1.74 18.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.4 p -76.31 -7.28 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.9 p -118.56 156.58 28.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.253 173.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.69 92.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.12 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.52 -41.96 92.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.616 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.42 -44.18 97.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -60.36 -43.45 96.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.43 -48.83 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.6 -29.89 68.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -172.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -72.17 -18.15 61.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.4 ttp-105 -86.02 85.0 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 73' ' ' TYR . 90.3 mmt-85 -140.97 155.32 46.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -172.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.3 133.06 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 170.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -114.77 136.96 52.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.8 mp -113.36 124.74 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 87.3 m -107.73 123.33 48.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.094 -176.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.566 ' C ' HD23 ' A' ' 138' ' ' LEU . 6.5 tt -113.57 113.26 24.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 43.6 t -134.69 120.07 14.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 110.9 -173.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.96 122.84 9.46 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 94.9 mt -129.12 -14.31 4.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 -176.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 39.1 mt 56.55 35.13 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.002 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -167.27 167.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.37 146.74 28.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -118.89 -55.4 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -175.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -163.87 161.15 22.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -159.38 -179.46 7.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.873 174.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -149.56 164.35 35.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 66.4 m80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -177.489 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -66.26 -24.95 66.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.7 mmm -69.39 -34.84 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.13 -30.63 66.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.67 -47.36 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.16 -39.46 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 174.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.08 -41.37 96.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.4 95.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.97 -41.55 98.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.78 -36.96 86.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -59.98 -41.62 92.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.17 -40.57 94.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.68 -21.49 65.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.1 mtt -94.78 5.81 50.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -175.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -125.71 100.04 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.943 169.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.39 142.32 11.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.509 174.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.1 p -90.03 -9.28 49.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.88 -11.98 29.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -175.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.5 t -94.39 131.68 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -92.32 128.39 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.3 t -104.86 121.4 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -121.5 137.07 54.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -108.67 133.78 52.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.6 t -143.07 109.23 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.39 -124.01 33.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.445 -176.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -99.46 7.57 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.822 0.344 . . . . 0.0 110.843 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -120.89 167.36 12.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.1 mt -127.45 133.65 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.8 mt -112.92 122.5 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.1 mt -106.66 116.05 31.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -102.3 108.68 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.8 ptp -122.85 128.84 25.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.953 -175.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.24 146.0 44.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.44 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -55.6 -29.19 58.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.834 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.81 -25.88 66.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 m -112.22 -19.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.2 m -108.74 -49.67 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -174.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.41 178.85 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.912 -174.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -67.78 167.61 13.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 166.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.7 p -62.52 -29.09 70.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -172.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.1 p -136.72 -11.7 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 -174.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -120.97 156.73 31.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 -162.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.04 51.29 2.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.5 m -112.81 125.08 53.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.81 140.46 53.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -84.64 158.41 59.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 165.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.42 -45.12 35.99 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.56 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.072 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.13 -38.36 59.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.96 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.204 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.39 -42.92 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.8 m -63.49 -45.15 92.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.0 mt -65.32 -29.64 70.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.5 m -64.77 -40.29 95.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 172.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.62 -39.73 96.94 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.98 -41.45 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.99 79.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.017 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.01 -21.99 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.6 t -92.27 -46.0 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.089 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.14 -40.6 94.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -66.26 -46.06 78.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.975 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -78.53 -25.67 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.76 85.64 28.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 73.8 Cg_endo -71.71 177.11 7.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 64' ' ' PRO . 94.9 mttt 70.46 16.64 7.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.6 p -122.35 148.27 45.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.153 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.74 139.39 48.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.7 130.25 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 173.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -120.07 130.25 54.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.8 t -111.7 121.53 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.1 mt -128.34 121.8 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.42 151.72 16.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -144.15 149.6 36.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.938 0.399 . . . . 0.0 110.939 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 t -169.9 155.11 5.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 -174.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -110.28 -58.85 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 -170.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 p -89.5 15.78 8.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -165.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.1 p -109.09 35.22 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.041 172.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.425 ' HA3' HD23 ' A' ' 82' ' ' LEU . . . 113.55 -171.3 13.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.506 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -87.51 -178.25 48.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.433 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.56 -48.43 72.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.312 . . . . 0.0 110.835 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.05 -47.84 75.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.805 -174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.425 HD23 ' HA3' ' A' ' 78' ' ' GLY . 63.0 tp -65.81 -40.25 91.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -66.98 -38.82 86.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.9 ttp -54.98 -39.02 68.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 170.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.57 -43.08 85.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.29 -39.15 89.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.0 t -60.84 -39.88 90.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.61 -42.39 95.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -68.3 -42.52 79.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.53 -37.5 87.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.42 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.23 -41.71 94.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.7 m -63.74 -41.4 98.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.86 -44.98 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.18 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.89 98.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -61.49 -43.79 98.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.08 90.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.1 -42.95 99.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.34 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m -62.94 -34.97 78.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -84.31 1.87 42.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.03 10.06 30.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 166.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.59 128.45 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.224 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.405 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 64.8 t0 -62.05 133.69 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.43 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.7 p -70.0 -19.22 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.405 ' HE ' ' HB3' ' A' ' 104' ' ' ASP . 76.5 mtm180 -90.91 -5.78 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.812 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 58.9 mt -106.97 125.18 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.178 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -135.24 114.65 12.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.1 p -128.91 146.78 50.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -136.86 145.53 44.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 171.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.38 102.16 1.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.3 tp -117.03 123.8 47.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.85 -167.61 23.65 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.35 129.38 33.74 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.669 2.246 . . . . 0.0 112.424 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.01 -48.87 2.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -134.63 96.73 14.8 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.69 0.757 . . . . 0.0 110.891 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -53.78 146.99 42.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.298 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.1 mm -86.89 -49.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.507 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -145.02 167.89 21.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.037 176.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.1 t -65.82 135.07 54.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -77.56 2.46 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.1 p -75.77 -6.95 53.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 175.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.7 p -118.64 152.86 35.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.152 172.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.16 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.6 -41.77 79.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.507 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -62.42 -38.98 97.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.509 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.6 -43.64 93.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.65 -45.54 75.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -66.29 -24.94 66.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.89 -20.26 63.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -90.21 80.09 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -136.77 151.49 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.3 t -127.45 138.2 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -118.48 130.24 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 81.5 mt -117.46 125.47 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.144 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 95.7 m -113.8 124.78 53.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -172.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 mp -107.37 122.85 47.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 46.6 t -144.34 121.0 6.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.711 0.767 . . . . 0.0 110.893 -171.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.92 132.64 50.88 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 171.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt -128.4 -22.35 3.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 35.2 mt 57.89 34.2 24.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -170.01 168.6 8.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -137.88 145.14 41.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.794 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -119.16 -55.05 2.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -168.8 160.87 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -150.47 175.93 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -157.47 166.4 33.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 149' ' ' HIS . 86.0 t60 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.899 0.381 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -65.01 -29.99 70.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -171.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.2 mmm -69.48 -35.11 75.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.26 -30.41 66.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -70.82 -49.32 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -63.87 -42.64 97.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 174.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -57.03 -44.42 82.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.8 -46.29 91.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.64 -42.25 95.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.974 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.29 -38.42 90.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -63.02 -41.03 99.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.5 -39.95 92.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.98 -27.86 68.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 77.5 mtm -100.72 -3.8 29.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -135.55 65.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 172.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.42 109.93 3.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.473 -171.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.8 p -126.39 -33.2 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 111.095 171.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.94 0.32 89.36 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -173.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.4 p -139.63 141.9 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 0.0 111.071 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -86.24 123.34 31.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.812 178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.7 t -104.95 123.7 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.114 -171.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.5 m -120.66 138.16 54.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.22 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -99.91 127.58 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.895 175.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.0 t -136.17 101.62 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.86 -124.67 31.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -173.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -98.81 10.13 41.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 174.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -109.11 160.38 16.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.15 129.7 73.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -111.33 119.39 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.499 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 86.2 mt -108.14 125.61 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -178.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -108.05 112.27 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 175.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.8 ttp -121.55 121.55 28.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.478 0.656 . . . . 0.0 110.876 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 59.2 Cg_endo -71.26 135.91 27.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.385 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -69.32 -39.99 77.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.813 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -73.6 -20.58 60.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -169.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.409 ' HB ' ' HG2' ' A' ' 33' ' ' PRO . 97.7 t -88.28 -29.54 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 76.2 p -112.31 -19.08 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -172.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.48 159.03 25.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 172.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 68.0 t0 -62.14 129.67 41.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 176.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.9 p -63.47 -21.46 66.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.2 m -88.32 -39.1 14.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.3 p -146.93 159.79 43.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -173.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.2 63.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.1 m -113.69 126.88 55.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 166.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.58 134.79 56.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 95.2 mttt -82.64 155.23 68.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.958 171.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.53 -42.86 59.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.634 2.222 . . . . 0.0 112.375 174.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.76 76.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 176.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.63 81.56 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.25 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.095 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.32 -43.75 90.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.3 m -61.14 -46.5 90.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.54 -32.24 73.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.0 m -64.72 -40.05 94.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.22 -44.48 98.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.453 173.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.0 t -57.36 -40.33 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.083 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.54 99.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.073 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.7 mmm -64.67 -27.94 69.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.821 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.7 t -80.66 -43.52 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.17 -32.63 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.98 -36.43 75.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -70.3 -29.96 66.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -114.27 80.9 6.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.65 155.47 62.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 68.11 40.52 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.8 p -127.81 162.6 26.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -109.44 132.29 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.62 127.01 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -118.22 123.11 44.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.3 t -113.41 123.12 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.08 119.76 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.68 143.37 16.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.556 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -144.24 154.98 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.947 0.403 . . . . 0.0 110.897 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.0 t -169.09 153.2 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.18 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.25 -57.69 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -178.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.5 p -84.72 -3.93 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 -162.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.9 m -44.63 -56.95 3.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.116 173.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.96 -115.18 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 166.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.45 173.3 45.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -176.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -57.14 -53.15 61.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.818 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.5 -41.49 96.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.0 tp -64.42 -43.74 93.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.79 -44.16 96.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.408 ' SD ' ' HA ' ' A' ' 113' ' ' LEU . 62.8 tpp -63.07 -44.17 96.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.976 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.37 -45.77 68.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -175.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mp -67.56 -39.37 84.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.9 m -62.75 -41.23 99.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.765 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.446 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 73.0 tp60 -67.6 -35.85 79.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -66.35 -39.08 88.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -64.29 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.711 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.14 -40.9 97.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -64.06 -37.4 87.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.5 m -65.97 -38.51 88.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.93 -46.46 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.148 175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.67 98.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.5 m -60.08 -43.58 95.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.09 86.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.1 -41.43 99.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.97 -41.54 92.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.7 m -62.67 -32.93 74.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -85.07 1.6 47.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.33 12.07 40.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.598 166.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.1 t -84.73 127.23 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.775 0.321 . . . . 0.0 111.129 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -56.87 128.37 36.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.39 69.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.8 p -68.97 -18.21 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -92.36 -8.22 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.8 mt -106.23 128.36 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -173.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -130.52 124.37 31.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.711 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 55.2 p -125.76 149.1 48.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -175.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -145.26 128.43 16.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.835 173.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.446 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -90.87 133.25 11.7 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 167.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.408 ' HA ' ' SD ' ' A' ' 84' ' ' MET . 89.0 mt -129.4 149.88 51.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.969 0.414 . . . . 0.0 110.876 177.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.69 -157.7 6.89 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 165.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -63.95 124.0 12.84 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.602 2.201 . . . . 0.0 112.363 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.26 -45.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -140.56 81.95 16.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.917 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.32 142.55 73.3 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 47.0 pt -103.43 -20.08 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 -174.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -136.76 168.43 19.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.4 t -71.06 133.36 46.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -71.6 -15.33 62.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.877 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.5 p -80.15 -6.13 57.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 90.4 m -114.45 139.64 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.85 96.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 -174.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.2 -39.99 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.3 -46.3 79.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.549 -175.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -65.13 -32.13 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.831 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.31 96.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.1 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -69.4 -26.86 64.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.1 -11.98 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.784 177.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -87.42 81.48 7.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 171.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -143.65 147.4 34.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -169.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.78 139.51 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -113.67 132.32 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.499 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 4.9 mp -117.3 122.15 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -111.23 125.58 53.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.201 -176.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.475 ' C ' HD23 ' A' ' 138' ' ' LEU . 6.6 tt -107.96 115.46 30.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.9 t -136.98 118.24 11.05 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.725 0.774 . . . . 0.0 110.849 -175.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.07 134.82 65.87 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.663 2.242 . . . . 0.0 112.438 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 57.5 tp -161.61 125.49 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.929 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 89.4 mt -95.97 54.73 1.51 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -170.07 130.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.97 144.82 39.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -157.12 142.8 17.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -130.65 77.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.835 -176.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -79.55 -59.91 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 174.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.13 159.85 40.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.927 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -66.91 -24.28 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.5 mmm -70.55 -32.86 70.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.52 -27.85 65.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.64 -48.31 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.71 -39.83 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.09 -41.38 98.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.18 -41.83 97.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.0 -37.1 86.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -60.66 -41.82 95.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.59 -40.5 95.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.4 -22.9 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.1 mtm -95.35 3.0 54.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -79.84 90.04 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.2 -179.56 50.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 177.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.7 p -87.1 -14.79 40.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.814 0.34 . . . . 0.0 111.105 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.21 -13.55 44.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.519 -171.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 87.7 t -88.93 134.7 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 111.072 178.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -96.73 123.54 40.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.9 t -105.24 122.33 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.7 m -119.91 136.0 54.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -103.34 132.73 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 171.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.3 t -141.1 102.76 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.23 -124.03 29.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.5 -171.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -99.56 1.22 43.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.741 0.305 . . . . 0.0 110.92 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -110.12 166.09 11.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -173.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.79 131.93 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.6 mt -117.39 121.81 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.4 mt -108.67 122.23 46.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -110.04 114.04 27.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.1 mtm -113.0 130.3 23.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.52 0.676 . . . . 0.0 110.858 -176.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -73.88 143.41 33.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.313 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -53.55 -40.08 65.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.32 -20.06 65.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -170.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.5 t -104.38 -26.69 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 -175.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.0 m -90.12 -51.24 5.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -171.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -116.63 153.17 32.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.8 146.53 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -67.6 -25.91 66.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.1 p -89.46 -15.78 32.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -168.41 145.32 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.51 63.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 170.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.7 m -111.84 133.59 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 164.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.6 tp -62.33 135.08 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -172.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -79.08 154.94 77.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.546 0.689 . . . . 0.0 110.84 171.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 -40.07 66.41 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.364 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.12 -31.0 71.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.13 -36.85 44.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.488 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.32 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.041 175.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.42 -40.55 97.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 177.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -62.7 -44.28 96.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 mt -67.3 -28.06 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.2 m -64.04 -40.61 96.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 170.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -62.26 -38.79 96.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 172.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.17 -44.46 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 111.123 173.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.4 88.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.45 -22.27 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 55' ' ' GLY . 93.6 t -94.57 -45.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.195 -175.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.03 -33.78 76.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -71.92 -35.89 69.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.38 -31.26 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -119.97 83.68 31.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.675 0.75 . . . . 0.0 110.904 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -67.13 -15.67 47.02 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.627 2.218 . . . . 0.0 112.391 -175.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -92.58 26.31 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 p -124.57 151.02 45.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' HB2' HD13 ' A' ' 141' ' ' LEU . . . -115.94 148.59 39.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.079 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.67 131.31 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -117.62 120.22 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.2 t -106.3 117.52 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.4 tt -127.16 127.24 69.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.48 142.91 15.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -147.51 149.76 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.974 0.416 . . . . 0.0 110.984 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.4 p -135.28 147.37 49.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 166.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 131' ' ' ASN . 3.5 m-20 -138.77 18.43 2.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 -170.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.9 p -89.12 -62.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -172.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -162.32 -176.77 5.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 172.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.05 167.74 30.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.432 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.11 129.57 40.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -54.41 -46.55 73.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.23 -46.12 90.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.0 tp -64.99 -40.24 94.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -62.58 -51.28 67.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.8 ttm -47.85 -45.31 29.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 171.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.17 -45.98 89.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -174.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.15 -38.26 90.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.956 173.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.9 m -62.62 -39.54 94.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.79 -39.29 91.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 176.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -68.98 -47.8 64.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -175.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -65.97 -35.06 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.35 95.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.075 175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -67.28 -34.07 76.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m -64.05 -39.63 94.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.41 -42.9 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 173.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.77 85.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.7 m -61.23 -43.09 99.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.25 94.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.104 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 69.1 mt -59.71 -43.27 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.51 -40.83 82.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.156 175.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.9 m -64.02 -32.19 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 175.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.79 7.51 23.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.976 -177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.9 8.9 57.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 170.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.34 128.43 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 111.098 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -57.9 124.79 20.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.85 70.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.5 p -70.11 -19.04 63.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -90.46 -4.75 56.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.1 mt -102.33 134.14 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 -175.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -127.05 133.19 50.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 170.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.6 p -114.38 140.07 48.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -140.13 154.0 46.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.3 144.54 12.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 173.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 113' ' ' LEU . 2.6 pt? -152.57 160.79 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 177.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.2 -156.84 19.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.602 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -49.24 125.12 12.89 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.761 2.308 . . . . 0.0 112.272 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.08 -67.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -132.28 119.66 16.65 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.628 0.728 . . . . 0.0 110.936 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.84 146.17 41.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.6 mt -100.19 -46.1 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.15 168.0 16.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 174.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.8 t -67.58 133.22 49.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -174.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.7 -6.65 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 p -74.18 -9.3 58.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.8 p -121.4 153.39 37.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.183 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.65 81.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.72 -42.18 86.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.55 -40.3 97.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -60.95 -42.31 97.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 0.0 110.964 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.63 99.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -68.4 -25.8 65.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.437 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 94.3 m-20 -76.94 -16.72 59.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -90.36 84.55 6.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.89 155.55 48.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -175.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.9 t -123.53 136.08 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 171.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -117.02 130.03 56.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -169.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.1 mt -117.76 123.28 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.9 m -114.77 124.35 51.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.065 -173.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.15 121.56 45.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 91.5 p -147.16 149.15 34.27 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.646 0.736 . . . . 0.0 110.766 -173.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.31 135.14 59.55 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.638 2.226 . . . . 0.0 112.381 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.418 HD13 ' HB2' ' A' ' 67' ' ' ALA . 47.4 tp -70.71 89.93 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 -178.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 77.4 mt -122.47 -1.81 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -159.74 169.09 24.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -148.57 142.15 25.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -142.96 178.9 7.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.814 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -164.91 113.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -165.04 114.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -111.56 -32.44 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.814 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -174.844 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -66.53 -24.39 66.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.999 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.8 mmm -70.16 -32.71 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.67 -27.81 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 81.6 t -79.7 -48.37 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -177.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -64.38 -40.41 95.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.75 -41.06 97.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.19 97.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.29 -41.28 96.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.14 -36.92 85.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -60.86 -41.83 96.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 178.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.89 -40.3 94.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.997 174.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.2 -23.09 65.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.4 mtm -95.27 3.4 54.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -79.72 89.94 5.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 171.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.86 179.44 51.65 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.2 p -80.22 -14.89 58.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 111.128 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.89 -14.46 45.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.507 -172.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.9 t -84.99 133.12 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 111.047 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -97.76 125.4 42.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.6 t -103.51 119.97 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.078 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -122.01 139.56 53.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -107.18 131.18 54.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 173.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -136.24 100.28 4.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.764 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.08 -127.71 35.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 -171.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.73 0.6 56.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 174.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -96.98 151.94 19.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.1 mt -122.46 124.39 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.3 mt -121.07 124.94 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mp -106.04 130.16 54.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 175.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -109.41 116.06 31.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 28.2 ttt -120.23 127.6 26.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.856 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 32' ' ' MET . 73.4 Cg_exo -54.9 138.74 78.24 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 0.0 112.289 -177.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -64.78 -32.99 74.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -69.48 -16.73 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -113.51 -6.52 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.113 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.8 m -95.86 -44.73 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -121.04 153.81 36.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.436 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 8.4 t70 -67.19 145.94 54.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -66.84 -24.42 66.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.5 p -93.16 -16.87 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -161.25 141.58 10.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.79 60.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 168.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.5 m -111.65 131.12 55.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 168.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.68 133.37 53.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -170.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 96.1 mttt -79.85 157.05 74.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.521 0.677 . . . . 0.0 110.858 172.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.96 -40.56 58.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.64 -33.49 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.84 -37.66 43.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.562 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.94 89.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.074 175.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -65.03 -41.93 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 178.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -62.27 -45.42 93.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 175.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.6 mt -64.83 -32.31 73.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 178.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.3 m -65.65 -39.97 91.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 173.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.44 -40.74 94.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 171.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.88 -40.66 87.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.773 0.321 . . . . 0.0 111.077 172.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.23 -40.84 78.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 98.9 mmm -63.81 -23.56 67.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.5 t -91.6 -45.08 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.226 -173.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.47 HD23 HG13 ' A' ' 103' ' ' VAL . 48.0 tp -63.51 -33.88 76.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 176.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.58 -40.66 95.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 177.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -72.74 -35.97 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -120.06 80.01 26.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.731 0.777 . . . . 0.0 110.843 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.15 -6.11 18.44 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.599 2.199 . . . . 0.0 112.351 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -92.21 17.1 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.4 p -122.7 158.43 30.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HB2' HD13 ' A' ' 141' ' ' LEU . . . -116.08 144.88 43.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.126 177.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.3 t -109.03 123.0 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -116.74 115.4 25.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 175.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.38 125.01 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.5 tt -125.52 131.46 72.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.22 144.84 15.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 172.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -149.98 159.84 44.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.009 0.433 . . . . 0.0 110.92 -175.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.1 m -139.94 139.45 36.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.182 169.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -138.32 17.06 2.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.833 -169.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.2 p -89.35 -60.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -176.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -161.47 -179.77 7.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.12 173.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.23 161.92 26.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.487 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.0 135.48 37.47 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 115' ' ' PRO . 81.2 t60 -54.8 -47.14 74.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.06 -49.65 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.17 -40.73 94.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -63.83 -50.26 69.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.4 ttp -49.97 -41.66 47.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 172.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.45 -45.99 81.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.83 -36.54 79.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 172.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 m -65.25 -38.82 91.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -60.35 -38.28 83.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 173.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -67.28 -40.68 86.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -57.6 -43.89 85.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 173.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.638 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -60.83 -44.96 96.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.08 -41.66 92.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.6 m -64.08 -39.34 93.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.15 -48.83 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -60.14 -41.75 93.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.4 m -59.54 -47.24 86.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.05 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.35 -47.84 84.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.912 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.27 -40.32 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.1 m -62.99 -35.14 79.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 175.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -84.99 9.96 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.01 7.67 59.56 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 167.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.47 HG13 HD23 ' A' ' 60' ' ' LEU . 96.3 t -79.66 128.48 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 111.11 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -52.59 119.07 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.13 71.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.5 p -71.0 -17.72 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -174.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -94.55 -8.7 37.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.4 mt -92.81 133.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -126.96 129.89 49.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 164.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.638 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 69.1 p -121.7 140.92 51.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.187 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -137.75 152.06 48.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.24 131.48 5.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.39 170.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.8 tp -142.64 141.47 31.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.08 -161.63 5.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.535 176.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 80' ' ' HIS . 78.9 Cg_exo -50.46 127.97 22.0 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.738 2.292 . . . . 0.0 112.364 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.96 -67.37 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -177.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -133.54 116.54 13.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.968 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.56 148.72 67.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.595 2.197 . . . . 0.0 112.372 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.0 mt -97.35 -49.15 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -128.54 168.68 15.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 172.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.5 t -65.72 132.57 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -171.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -74.45 -5.31 41.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 176.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 74.4 p -74.91 -9.03 58.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 59.7 p -121.13 155.14 35.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 173.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.25 87.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.035 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.29 -42.37 88.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.43 99.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -62.36 -42.81 99.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.91 95.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -72.96 -21.12 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -175.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -74.54 -16.2 60.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -90.18 83.51 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -128.05 160.72 31.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.787 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 99.4 t -121.55 139.97 47.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 170.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -114.93 130.06 56.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -167.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 85.5 mt -113.71 119.57 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 173.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.8 m -113.0 125.01 53.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -175.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 58.4 tp -111.92 123.06 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.2 p -147.05 149.81 36.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.25 136.82 69.71 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.612 2.208 . . . . 0.0 112.415 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 67' ' ' ALA . 51.5 tp -79.71 93.22 5.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.97 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 81.5 mt -115.96 -12.2 11.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -162.91 165.01 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -177.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -119.83 126.51 51.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -158.08 162.1 38.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -165.0 115.0 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.725 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -165.93 140.34 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.804 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -139.99 -35.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 84.6 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.81 -177.343 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -65.4 -24.84 67.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.4 mmm -69.57 -34.95 74.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.92 -29.96 67.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.3 -46.94 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.048 -178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.46 -39.17 91.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.82 -41.6 97.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.13 95.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.69 -40.8 98.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.99 -36.48 84.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -60.81 -41.67 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.21 -39.82 93.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 174.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.53 -22.9 64.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.5 mtm -94.92 3.87 54.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.933 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -78.93 89.99 4.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 172.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.31 -176.51 51.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.7 p -88.87 -14.95 35.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 111.172 176.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.61 -11.26 53.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -171.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.9 t -89.68 133.56 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.6 t -97.47 123.77 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.08 123.4 62.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.3 m -120.39 135.93 54.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -101.6 128.16 48.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 172.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -137.0 103.4 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.94 -122.46 24.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -172.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -96.23 -9.04 31.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.322 . . . . 0.0 110.898 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -103.5 167.3 9.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -171.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.3 mt -122.04 134.04 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.5 mt -113.24 121.73 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 176.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 58.9 mt -107.16 123.51 48.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -107.4 109.24 20.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 89.2 mtp -111.18 138.35 21.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.527 0.68 . . . . 0.0 110.879 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.37 132.4 19.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.296 171.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -63.17 -26.51 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.822 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -58.76 -28.3 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.784 -167.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.4 m -110.36 -7.57 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -172.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.4 p -96.31 -51.84 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -174.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -151.19 172.04 16.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -92.66 117.33 29.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.1 p -52.14 -24.84 7.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.5 m -64.56 -42.77 95.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -161.84 139.09 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.88 80.68 1.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -168.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.5 m -105.41 122.67 46.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 166.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.13 127.49 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.77 157.9 51.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.528 0.68 . . . . 0.0 110.855 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.03 -44.12 52.82 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.57 86.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.09 -36.02 64.26 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 176.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.58 87.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 111.102 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.59 -46.82 84.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.4 m -69.11 -42.22 76.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.86 -34.76 79.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.983 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.8 m -64.36 -37.55 87.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 171.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -59.83 -39.31 95.25 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 172.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.25 -41.44 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 172.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.03 88.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.3 mtp -63.33 -22.14 66.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 55' ' ' GLY . 84.9 t -87.85 -43.55 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.61 -35.47 80.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -71.62 -36.12 70.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -72.67 -34.97 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 176.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -122.01 79.97 42.49 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.693 0.759 . . . . 0.0 110.924 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.01 -8.21 22.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.234 . . . . 0.0 112.371 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -90.2 12.31 18.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.4 p -121.41 152.11 39.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.18 151.81 34.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.46 131.17 64.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -120.1 115.18 23.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 172.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.8 t -113.09 124.1 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -176.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.5 mt -124.08 124.94 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.87 140.2 15.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.486 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -159.53 164.77 34.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.937 0.398 . . . . 0.0 110.939 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.8 p -130.62 151.12 51.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.099 171.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 118' ' ' PRO . 0.7 OUTLIER -138.31 22.53 2.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -173.606 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 98.0 p -91.25 -60.55 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -161.11 -177.0 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.184 169.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.66 161.44 24.06 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.434 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.01 138.74 39.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -55.0 -47.38 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.01 -47.5 80.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.09 -42.93 96.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.67 -45.27 90.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 60.5 ttm -54.46 -42.37 70.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.09 -42.78 93.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -177.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.17 -37.28 82.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 172.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.5 m -68.25 -34.54 76.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -60.86 -36.71 79.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 176.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.04 -40.53 96.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -63.09 -41.56 99.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.51 85.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.52 -40.79 96.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.4 m -65.07 -42.1 94.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.1 -47.02 86.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.01 96.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -61.94 -43.87 97.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.77 86.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.079 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.18 -42.14 98.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.915 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.61 -40.57 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.8 m -63.14 -32.79 74.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -86.1 7.31 25.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.98 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.5 9.94 56.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.498 167.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -83.59 129.62 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.912 0.387 . . . . 0.0 111.107 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -57.71 125.54 23.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.06 -26.75 64.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.096 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.5 m -65.85 -26.36 67.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -89.58 -6.02 56.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -176.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.7 mt -102.07 130.28 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -174.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -127.57 129.88 48.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 166.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.7 p -128.28 147.57 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.166 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -147.33 141.46 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -114.87 128.02 7.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 175.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.1 mt -130.07 156.49 44.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.948 -175.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -73.53 -165.63 10.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.61 167.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -48.28 127.04 14.74 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.325 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.98 -68.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -127.99 101.31 22.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.879 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.508 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 98.7 Cg_endo -78.25 163.45 27.63 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.278 177.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.4 mt -96.84 -47.48 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.565 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -137.83 170.05 16.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.083 -174.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.7 t -64.86 138.13 58.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -174.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.13 -4.91 41.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.8 p -76.26 -8.15 56.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.2 p -119.14 152.89 35.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.33 90.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.86 -41.63 91.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.565 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -64.86 -40.56 97.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -60.79 -43.57 97.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.985 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.18 97.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -70.81 -29.85 66.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -173.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -73.97 -6.85 49.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -169.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -84.91 84.81 7.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 172.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -127.5 145.22 50.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.754 -167.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.78 139.93 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 173.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -114.35 131.14 56.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -170.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.42 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 88.1 mt -117.7 120.24 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 173.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.3 m -110.85 124.33 51.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 83.2 mt -113.98 118.33 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 175.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 89.3 p -142.59 147.8 44.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 -173.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 52.9 Cg_exo -54.94 139.07 79.13 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.691 2.261 . . . . 0.0 112.298 177.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 44.0 tp -74.97 110.4 9.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.893 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.7 mt -106.67 -18.88 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -165.66 160.05 17.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -150.88 139.43 20.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -160.09 161.15 33.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -164.97 115.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -163.68 137.56 5.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -130.9 -40.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.789 -177.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 -176.4 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -65.19 -24.83 67.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.012 -177.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.2 mmm -69.81 -34.87 74.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.897 176.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.03 -30.05 67.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.0 t -74.94 -47.5 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.03 -39.57 93.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.98 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.97 -41.61 98.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.32 95.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.47 -41.03 98.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 175.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -64.91 -36.91 85.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.61 -41.62 95.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.936 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.95 -23.17 65.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.9 mtm -95.51 4.95 52.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.852 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -78.2 90.0 4.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.15 -178.24 51.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.1 p -82.45 -17.71 44.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.341 . . . . 0.0 111.126 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.43 -14.2 50.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 -170.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -91.22 135.09 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 111.072 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 t -96.87 116.22 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.4 t -104.73 121.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.116 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.2 m -122.54 137.41 54.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.161 -174.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -98.92 126.69 44.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 172.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.5 t -136.14 102.93 5.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 -175.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.98 -124.68 28.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.547 -171.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -95.31 -4.76 44.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -109.02 166.36 10.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.7 mt -128.08 132.37 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.5 mt -118.22 126.07 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mp -109.17 114.23 27.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.984 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -111.09 118.98 37.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -178.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.9 ptp -121.17 145.64 42.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.579 0.704 . . . . 0.0 110.881 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.54 145.6 37.81 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.306 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -57.27 -35.06 69.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.21 -25.83 68.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -163.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -108.17 -14.88 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.1 m -101.37 -48.94 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -168.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -122.68 152.14 40.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.417 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 66.1 t0 -65.09 133.97 52.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.754 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.9 p -66.29 -20.9 66.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.9 m -85.44 -26.68 26.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.3 t -163.12 150.22 12.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -177.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 90' ' ' ARG . . . -71.57 66.27 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.9 m -119.09 135.25 54.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 167.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.85 132.47 48.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -173.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 98.3 mttt -77.96 155.23 80.31 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.571 0.7 . . . . 0.0 110.793 170.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -50.85 -40.55 57.4 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 174.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.88 -33.1 74.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.73 -38.12 61.12 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.74 85.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 111.056 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.37 -43.03 98.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -62.74 -43.19 99.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 175.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.86 -33.35 75.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.7 m -64.75 -42.05 95.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.503 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -60.45 -41.61 98.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 173.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.0 t -62.03 -39.91 85.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.08 92.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.0 mmm -64.23 -24.9 67.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 55' ' ' GLY . 87.5 t -87.66 -46.3 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.176 -176.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.64 -35.48 80.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -57.06 -35.0 68.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -177.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -71.15 -25.26 62.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -122.79 83.95 49.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.679 0.752 . . . . 0.0 110.906 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.15 -10.03 27.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.408 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.73 5.19 49.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.6 p -119.98 156.19 31.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.38 158.24 26.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.86 127.49 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -123.09 113.51 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -110.15 124.97 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -174.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.3 mt -123.42 125.82 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.99 139.47 14.55 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.516 174.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -151.84 150.46 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.962 -176.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.6 p -134.99 150.0 50.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 169.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.69 20.11 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -173.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.0 p -88.84 -59.91 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -173.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -163.69 -178.51 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 170.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.77 162.47 25.93 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.7 136.21 38.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -55.03 -47.26 74.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.44 -47.51 83.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 -175.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.89 -42.85 94.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.19 -46.49 86.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.403 ' HG3' ' HA ' ' A' ' 113' ' ' LEU . 51.6 ttm -54.96 -42.8 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 173.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.73 -44.17 91.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.59 -37.48 86.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 172.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 m -63.61 -39.9 95.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -64.99 -37.98 89.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.945 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 43' ' ' ALA . 37.8 tt0 -63.85 -51.08 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.43 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 13.0 ptp180 -65.21 -31.16 72.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.5 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -61.58 -44.55 96.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.078 175.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.82 -35.62 81.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.6 m -64.22 -40.1 95.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.45 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.49 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.8 m -61.19 -46.03 92.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.7 89.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.061 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.96 -42.45 98.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.5 mt -61.02 -41.3 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.0 m -63.14 -33.01 74.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -85.85 8.96 18.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.03 10.15 57.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 166.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.5 t -81.73 129.49 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.352 . . . . 0.0 111.186 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -54.37 123.35 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.02 -28.43 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.059 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.4 m -68.39 -25.02 64.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -91.89 -8.5 46.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.5 mt -95.13 129.27 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -177.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -127.64 130.01 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 166.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.5 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 80.3 p -128.03 140.72 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.226 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -139.95 150.0 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.06 134.99 8.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.403 ' HA ' ' HG3' ' A' ' 84' ' ' MET . 2.9 pp -142.86 158.06 43.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 178.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.98 -158.63 29.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.574 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.73 127.18 18.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.338 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.02 -65.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -132.29 115.89 15.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.22 154.99 37.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 83.7 mt -100.03 -50.06 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.43 168.25 14.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.6 t -66.67 133.59 50.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -174.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -75.45 -3.67 35.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.9 p -74.89 -9.54 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.05 0.452 . . . . 0.0 110.918 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.5 p -119.51 153.87 34.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.89 85.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.54 -43.13 86.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -63.82 -39.2 97.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -61.01 -44.22 97.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 0.0 110.953 177.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.32 98.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -68.09 -21.98 64.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 -175.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -82.14 -4.3 56.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -174.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -97.79 99.4 10.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -135.02 154.79 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -169.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.9 t -125.43 135.01 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 169.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -117.08 129.87 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -171.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.77 120.48 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 173.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -111.79 119.22 37.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.8 tt -113.43 116.0 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.8 p -151.42 154.18 33.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.67 0.748 . . . . 0.0 110.782 -169.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.99 133.55 52.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.282 177.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 46.3 tp -73.76 90.25 1.85 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -178.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 78.8 mt -121.83 -4.27 9.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -156.44 168.33 27.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -176.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -155.35 137.76 14.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -145.94 -180.0 7.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -155.11 121.16 5.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -165.06 114.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 175.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -123.53 -8.69 8.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -177.423 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 38.9 p90 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -63.69 -32.35 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.4 mmm -72.52 -31.82 65.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.35 -30.78 68.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.872 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.14 -46.5 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.54 -38.54 89.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 175.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.45 -44.55 95.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.42 93.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.12 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.17 -37.83 88.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.997 -178.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -64.22 -39.49 94.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.09 -40.22 94.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.17 -24.22 65.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.5 mtm -94.99 4.13 54.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.858 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -77.36 89.98 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 172.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.91 -178.46 50.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.9 p -87.27 -15.02 39.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.345 . . . . 0.0 111.12 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.3 -13.41 48.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.532 -171.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.3 t -91.99 135.07 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.4 t -97.87 126.36 43.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -106.26 121.98 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.2 m -119.94 134.76 55.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -103.32 128.15 50.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.7 t -137.31 102.07 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.97 -122.78 24.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.545 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -97.34 -10.0 26.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -98.99 168.03 10.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -172.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.4 mt -120.0 129.89 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.223 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.1 mt -117.12 120.21 64.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 57.5 mt -108.91 126.19 52.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -106.95 112.77 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.1 mtp -112.48 134.23 21.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.499 0.666 . . . . 0.0 110.897 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.83 145.24 31.88 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -51.8 -34.73 41.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.819 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.71 -25.35 68.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -165.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 m -109.25 -16.63 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -169.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.0 p -90.2 -59.64 2.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 -174.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -132.38 162.26 31.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -88.79 147.53 24.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.806 -174.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.6 p -64.0 -23.49 67.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.4 p -89.56 -28.04 19.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.794 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 t -160.52 141.59 12.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.21 66.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.3 m -113.44 127.66 56.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.125 168.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.26 133.13 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -169.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.24 156.27 63.16 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -51.32 -41.54 58.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.405 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.0 -36.2 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.28 -37.79 59.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.52 87.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.09 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -63.71 -43.71 95.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.804 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.0 m -65.93 -43.42 88.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.4 mt -66.67 -29.81 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.5 m -64.33 -40.75 96.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 170.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.508 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -60.62 -38.3 94.81 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.424 172.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.4 t -61.65 -42.53 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 111.095 172.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.28 89.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.3 mmm -61.9 -24.95 67.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 55' ' ' GLY . 96.4 t -89.15 -45.1 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.192 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.77 -35.77 82.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.84 -35.55 74.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -75.09 -32.22 61.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 176.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -122.02 80.33 42.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.73 0.776 . . . . 0.0 110.899 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.63 -4.78 15.3 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.392 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -91.02 7.82 38.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.2 p -120.54 150.68 40.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -119.94 156.09 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.132 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 p -114.46 130.42 68.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 109' ' ' ARG . 53.6 t-20 -119.89 119.97 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 172.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -111.55 123.58 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.069 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.46 HG12 ' HB2' ' A' ' 111' ' ' GLN . 71.9 mt -120.3 124.25 72.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.64 140.58 15.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.495 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -159.77 164.1 34.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.933 0.397 . . . . 0.0 110.916 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.5 p -130.99 153.31 49.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.054 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 118' ' ' PRO . 0.6 OUTLIER -137.98 24.04 2.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -173.801 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 99.3 p -91.13 -60.35 1.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -162.31 -178.31 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.181 170.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.22 159.85 23.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.405 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.85 137.47 41.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.514 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -54.57 -49.06 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 0.0 110.871 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.54 -46.91 80.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.97 -38.21 87.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -64.5 -45.61 86.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.7 ttm -53.89 -39.16 65.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.801 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.07 -46.41 81.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.96 -40.11 92.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 171.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.4 m -62.05 -37.54 85.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -61.56 -40.94 96.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.42 -46.74 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -67.32 -32.92 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -62.94 -43.13 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 173.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.94 -34.95 79.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 177.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -64.63 -38.34 90.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.34 -47.49 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.186 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.9 93.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.02 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m -60.87 -43.96 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.899 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.75 82.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.64 -42.78 97.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.7 -41.29 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.5 m -64.08 -31.54 72.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -84.31 3.89 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.24 9.69 55.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 169.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.3 t -81.39 129.93 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 111.131 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -54.61 122.47 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.27 -32.27 68.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -70.64 -17.86 62.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -95.0 -7.39 39.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 80.6 mt -97.51 128.43 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 91.5 mmt-85 -128.62 131.03 48.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 167.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.566 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 81.2 p -126.88 141.88 51.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.46 ' HB2' HG12 ' A' ' 71' ' ' ILE . 49.2 mt-30 -137.41 144.96 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.25 131.65 9.86 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.414 172.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.0 mt -130.26 155.01 46.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.908 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.86 -165.28 13.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 166.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -49.96 128.32 21.68 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.78 -70.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -127.36 105.53 21.62 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.706 0.765 . . . . 0.0 110.889 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 93.2 Cg_endo -78.45 165.8 24.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 177.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.4 mt -98.84 -49.93 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.604 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -131.98 169.24 16.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -175.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.438 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 35.0 t -64.98 137.72 57.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 -175.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -74.61 -3.45 31.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p -75.13 -8.01 55.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.7 p -119.64 153.78 35.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 174.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.12 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 175.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.66 -39.75 91.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.604 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.0 -41.68 99.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.48 -44.17 93.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.896 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.46 93.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -72.68 -30.52 64.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -172.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -72.41 -9.51 58.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -169.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -89.44 108.0 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 172.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -144.16 143.79 31.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -160.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 86.3 t -123.39 137.05 57.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 171.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -115.64 131.15 57.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.449 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 85.7 mt -114.86 120.68 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.0 m -113.92 119.72 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.8 tt -115.66 116.8 28.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.6 p -150.24 155.13 37.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 -170.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.4 136.52 56.04 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.645 2.23 . . . . 0.0 112.295 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 51.4 tp -70.38 91.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 80.5 mt -118.66 -8.73 10.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -155.04 170.2 22.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -144.77 126.1 14.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.757 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -156.67 153.28 28.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 176.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -165.04 114.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.815 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -156.67 138.64 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -109.96 -59.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 119.184 -0.436 . . . . 0.0 110.863 -175.578 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.885 0.374 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -65.78 -24.92 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.3 mmm -69.18 -34.78 75.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 176.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -69.98 -29.96 67.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.8 t -75.67 -46.86 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.43 -39.46 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.88 -41.65 96.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.37 95.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.6 -40.57 97.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.05 -36.4 84.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.997 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.71 -41.79 95.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.3 -39.75 92.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.37 -22.91 64.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.5 mtm -95.15 4.27 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.888 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -78.76 89.95 4.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 172.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.69 -177.73 51.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.485 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 p -87.03 -14.92 40.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.331 . . . . 0.0 111.131 176.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.07 -11.41 57.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -172.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.7 t -86.66 133.9 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 111.076 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 t -92.85 126.7 38.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.68 121.49 62.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.8 m -120.07 135.61 54.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -105.57 128.02 53.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 171.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -136.58 103.94 5.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.28 -122.71 24.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -171.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -96.59 -13.12 23.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.749 0.309 . . . . 0.0 110.895 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -96.15 167.41 11.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -172.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.1 mt -124.02 131.79 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.8 mt -117.04 122.24 69.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.3 mt -109.93 130.46 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -116.11 112.85 22.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 175.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 60.9 mtm -106.9 135.97 19.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.534 0.683 . . . . 0.0 110.849 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.67 141.93 38.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 176.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -55.94 -33.76 65.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -57.84 -26.43 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -164.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 m -115.61 -9.76 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -174.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -108.01 -56.68 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -175.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -133.44 -177.14 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -170.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -133.08 126.55 32.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 172.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.0 m -57.38 -26.7 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.8 m -73.58 -35.29 65.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -153.83 128.78 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 176.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 90' ' ' ARG . . . -74.21 69.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.6 m -111.85 125.14 53.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 169.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.4 tp -64.88 132.39 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -85.54 155.4 59.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.538 0.685 . . . . 0.0 110.84 173.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.52 -41.3 68.81 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.687 2.258 . . . . 0.0 112.414 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.05 -33.69 74.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.16 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.54 -38.31 57.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.547 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.44 84.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.319 . . . . 0.0 111.055 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.54 -43.73 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.1 m -65.44 -41.66 93.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.36 -32.54 74.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -64.63 -40.29 95.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.56 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -60.53 -39.99 97.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.436 172.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.82 -41.31 92.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.693 0.282 . . . . 0.0 111.041 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.44 85.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.048 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.5 mtp -63.45 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 55' ' ' GLY . 90.0 t -88.43 -47.4 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.158 -175.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.95 -39.3 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -63.48 -30.51 71.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -75.93 -27.07 57.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -120.0 81.06 27.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.698 0.761 . . . . 0.0 110.881 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.68 -9.16 25.22 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.716 2.277 . . . . 0.0 112.395 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.1 4.08 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 177.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.6 p -121.88 159.56 26.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.17 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.71 150.31 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.6 t -110.63 124.31 67.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 109' ' ' ARG . 55.7 t-20 -114.81 117.91 32.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 173.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.1 t -106.06 121.73 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.404 HG12 ' HB2' ' A' ' 111' ' ' GLN . 82.1 mt -118.96 120.79 65.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -176.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.3 135.16 12.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.481 172.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -149.67 163.14 38.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.045 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.6 t -151.49 141.18 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.126 166.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -119.81 8.7 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.7 p -87.18 -61.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 110.883 -167.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -161.37 -175.18 4.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.178 172.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.75 157.65 22.38 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 173.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.05 132.7 33.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.504 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -55.01 -45.59 75.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.68 -48.81 79.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.39 -40.2 95.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.81 -43.1 94.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -177.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 68.1 mtm -53.99 -43.08 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 171.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.79 -46.77 74.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.964 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.42 -41.06 93.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 173.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.2 m -63.01 -39.94 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -65.68 -40.03 91.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.924 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.33 -47.83 77.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 18.2 ptp180 -65.31 -32.5 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.636 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -60.64 -42.9 97.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 176.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.28 -37.89 89.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.6 m -65.02 -39.98 94.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.14 -46.57 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.172 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.95 92.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -61.02 -44.17 97.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.2 87.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.098 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.67 -42.21 98.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.11 -40.66 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 176.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.4 m -63.11 -32.81 74.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 176.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -84.75 6.23 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 -177.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.28 10.55 51.02 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 168.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.23 131.38 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 111.172 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.41 126.1 26.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 175.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.36 -27.27 65.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.8 p -69.78 -21.61 63.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -92.53 -9.76 40.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.4 mt -94.68 128.14 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 91.2 mmt-85 -128.38 132.44 48.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 168.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.636 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 73.1 p -129.57 142.21 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HB2' HG12 ' A' ' 71' ' ' ILE . 54.5 mt-30 -137.25 148.08 46.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -118.03 128.21 7.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 173.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 89.1 mt -133.2 156.8 46.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.12 -159.49 32.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 168.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -53.5 131.89 45.96 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.668 2.245 . . . . 0.0 112.291 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.94 -67.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -131.43 108.92 14.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.692 0.758 . . . . 0.0 110.927 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.07 153.01 67.94 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.61 2.207 . . . . 0.0 112.398 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 92.1 mt -96.62 -46.92 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.98 171.86 10.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.8 t -67.44 134.83 52.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -75.08 -6.01 47.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 175.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 76.5 p -75.72 -9.26 58.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.3 p -119.43 152.42 36.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 174.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.76 -37.41 86.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.059 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.06 -41.27 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.76 -40.89 97.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -62.55 -40.53 97.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.992 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.4 98.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.7 -26.91 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -80.66 -8.6 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -91.84 79.96 5.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 170.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -136.8 158.93 43.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.82 154.54 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -116.61 132.06 56.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.2 mt -117.03 122.06 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 169.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 97.0 m -112.02 124.22 51.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 48.6 tp -112.94 120.52 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.0 p -154.38 152.74 26.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.636 0.731 . . . . 0.0 110.774 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.36 134.18 50.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.635 2.223 . . . . 0.0 112.337 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 44.6 tp -72.83 90.1 1.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 75.8 mt -122.38 -1.16 9.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -176.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -158.0 169.76 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.791 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -153.16 137.53 16.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -145.3 179.92 7.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -165.02 115.05 1.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -164.87 117.36 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -126.71 -37.66 2.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 179.188 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.893 0.378 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -66.02 -24.2 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -177.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.1 mmm -68.03 -27.9 66.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.66 -28.52 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -87.91 -46.63 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 -177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.86 -41.49 95.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.979 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.74 -41.12 85.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.61 -39.58 93.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 175.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.41 -35.18 80.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.979 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -62.72 -41.24 99.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.45 -38.95 92.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 175.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.28 -25.32 65.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 78.5 mtm -102.61 -2.51 28.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.943 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -81.15 88.66 5.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 174.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.87 179.74 43.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.567 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.4 p -85.6 -10.55 55.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 0.0 111.201 174.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.63 -12.75 58.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.533 -173.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.8 t -84.21 132.79 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 111.094 177.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -97.56 123.16 41.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.56 123.13 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 -174.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.2 m -119.99 136.88 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -104.74 134.55 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 171.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -140.34 99.42 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.785 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.94 -123.28 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.526 -173.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -97.8 10.51 39.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -102.39 154.06 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.3 mt -117.73 124.26 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.8 mt -115.76 120.68 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.6 mt -103.3 121.9 43.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -104.09 109.99 22.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.6 mtt -119.82 138.83 27.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.431 0.634 . . . . 0.0 110.972 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.49 136.8 24.37 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 176.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -68.47 -24.02 64.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -61.71 -23.82 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.763 -170.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.0 m -112.38 -5.76 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.8 m -102.23 -48.75 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -174.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -115.79 151.24 35.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.46 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 66.8 t0 -71.61 133.97 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.858 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.1 p -70.68 -22.54 62.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.3 p -92.19 -6.58 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.0 t -174.44 143.1 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.47 60.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.04 173.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.4 m -116.58 138.83 51.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 162.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.33 135.48 56.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 97.0 mttt -73.67 152.89 89.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.506 0.67 . . . . 0.0 110.861 173.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.79 -40.3 74.91 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.347 175.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.74 -27.45 69.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.66 -37.53 30.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.77 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.063 176.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.14 -40.44 96.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.1 m -60.11 -45.46 92.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.16 -28.96 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.964 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 100.0 m -65.01 -39.95 94.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 172.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -61.61 -39.08 96.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 170.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.52 -40.07 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 111.036 172.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.01 76.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.059 174.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.4 mmm -64.42 -19.44 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 55' ' ' GLY . 95.1 t -93.79 -54.3 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -173.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.7 tp -68.29 -33.91 75.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -67.29 -39.77 86.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -77.67 -27.5 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -120.76 77.12 29.05 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.724 0.773 . . . . 0.0 110.937 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.85 -7.06 20.39 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -87.24 8.45 24.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 176.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.3 p -123.83 160.09 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.456 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -114.42 142.99 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 176.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.48 121.3 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 174.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -117.26 115.27 24.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.35 121.38 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -177.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 85.1 mt -122.68 124.12 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.87 136.43 13.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.56 178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -155.97 158.95 38.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.966 0.412 . . . . 0.0 110.953 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.6 p -133.46 153.91 51.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.105 175.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.496 ' HB2' ' HB3' ' A' ' 131' ' ' ASN . 1.4 m-20 -139.24 20.03 2.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -170.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -90.81 -61.66 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -171.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -159.8 179.51 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 169.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.79 159.17 25.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.398 176.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.84 130.36 45.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -52.78 -47.11 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.18 -49.21 76.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.9 -41.41 95.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.48 -52.12 62.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.4 ttp -46.07 -44.86 15.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.19 -45.51 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.4 mt -60.45 -38.09 83.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.416 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 67.8 m -64.78 -39.33 93.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -56.96 -41.03 77.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 174.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -67.09 -43.58 82.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' A' ' 87' ' ' SER . 87.9 mtm180 -63.54 -37.62 88.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.55 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -63.44 -43.81 96.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 176.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.4 -36.67 83.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.1 m -64.86 -39.75 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 52.0 t -61.91 -48.4 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.104 176.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.55 -42.28 98.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.8 m -59.06 -46.69 87.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.44 87.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.108 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.42 -44.72 95.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.929 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.41 -41.65 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.6 m -62.96 -33.27 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.138 176.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -87.1 19.05 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.98 4.76 66.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 165.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.4 t -81.25 131.68 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 111.081 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -58.4 121.42 10.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.79 -29.65 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.3 p -71.35 -18.84 62.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -174.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -95.52 -8.12 36.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.5 mt -93.14 135.37 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -127.74 130.62 49.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.775 166.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.55 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 82.1 p -130.95 144.53 51.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -146.84 142.82 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.11 130.84 9.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.524 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.4 mt -128.77 155.55 44.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.45 -160.93 28.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 167.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -49.24 128.39 19.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -134.99 -69.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -131.63 109.69 14.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.644 0.735 . . . . 0.0 110.93 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.94 158.74 42.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.0 mt -95.54 -45.5 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.403 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -135.6 168.83 18.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -64.44 133.77 53.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -174.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -72.19 -3.75 25.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.921 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.4 p -75.01 -8.27 56.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.7 p -121.39 153.21 38.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.36 87.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.52 -42.08 87.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.47 -41.5 99.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.478 178.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -60.67 -44.64 96.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.891 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.68 96.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -68.21 -29.38 68.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.496 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 98.7 m-20 -71.21 -11.47 60.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -171.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -88.81 92.6 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -130.09 147.8 51.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -164.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.93 138.58 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -117.85 137.38 52.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -172.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 75.4 mt -114.79 121.3 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.9 m -110.59 123.9 50.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 -176.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 60.3 tp -110.98 121.56 45.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 176.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.5 t -143.57 130.76 10.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.85 -173.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.6 145.06 39.65 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.306 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 67' ' ' ALA . 79.2 mt -73.25 77.31 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 90.0 mt -96.69 -15.99 21.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -161.83 160.59 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -130.47 150.19 51.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -159.49 161.85 35.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -131.67 79.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -164.52 115.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -115.15 -36.57 4.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 -177.785 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.1 t80 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.916 0.389 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -65.19 -29.95 70.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -172.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.1 mmm -69.24 -34.87 75.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.84 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.9 -30.99 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.0 -49.98 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.068 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.34 -44.27 96.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 173.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.74 -42.58 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.36 92.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.7 -40.61 97.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.59 -37.69 88.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -58.02 -43.71 86.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 177.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -67.46 -42.83 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 177.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.01 -30.54 71.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 79.3 mtm -95.01 0.65 54.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -119.31 80.15 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.46 59.97 4.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 p -136.41 -40.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.67 6.35 66.47 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.437 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.14 155.96 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.893 0.378 . . . . 0.0 111.06 -172.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.9 t -99.34 120.38 39.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.0 t -102.22 121.36 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.8 m -121.05 139.52 53.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -117.42 135.38 53.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 t -144.09 116.18 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.03 -123.58 31.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -172.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -100.17 -4.52 29.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.812 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -104.65 168.3 9.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -171.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.8 mp -122.73 132.6 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.3 mt -118.93 120.25 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.0 tp -108.68 124.64 50.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -105.04 110.05 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 96.3 mtp -107.38 113.62 61.73 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.512 0.672 . . . . 0.0 110.92 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.69 131.9 35.34 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.83 -38.62 91.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -65.21 -29.57 70.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -166.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -108.47 -4.67 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 -170.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.2 p -114.84 -30.44 6.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.13 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -124.06 155.48 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' HA ' ' HE3' ' A' ' 46' ' ' LYS . 8.5 t70 -64.86 145.88 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.7 p -70.47 -25.88 63.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -175.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -91.71 -20.19 21.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.8 t -160.84 149.65 16.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.785 -175.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 90' ' ' ARG . . . -70.03 66.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.195 172.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.4 m -114.85 131.85 56.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 168.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.4 tp -64.07 131.74 48.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.946 -173.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' HE3' ' HA ' ' A' ' 39' ' ' ASP . 96.2 mttt -80.28 155.03 74.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.498 0.666 . . . . 0.0 110.947 171.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -52.16 -40.74 68.32 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 175.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.51 77.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.7 -36.94 67.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.426 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.99 -35.86 82.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.822 0.344 . . . . 0.0 111.078 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.45 -42.3 96.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.3 m -64.24 -43.27 95.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -63.04 -31.71 72.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 178.398 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -65.15 -40.12 93.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.069 171.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.4 -44.68 96.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 172.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.8 t -56.98 -41.88 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 174.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.34 92.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 175.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.5 mmm -66.56 -29.55 69.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.45 -51.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 -174.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.495 ' C ' HD12 ' A' ' 60' ' ' LEU . 4.1 pp -64.61 -24.34 67.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 177.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.36 -34.41 72.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.37 -23.3 65.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.477 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 70.8 m-85 -112.5 96.96 38.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.75 0.786 . . . . 0.0 110.959 177.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 63' ' ' TYR . 27.4 Cg_endo -62.57 -31.49 79.84 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.256 . . . . 0.0 112.405 -177.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -102.64 87.22 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.993 171.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 t -149.39 160.44 43.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -118.85 146.7 44.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 175.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.9 t -109.59 123.81 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -119.98 114.42 22.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -113.4 119.24 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.9 mt -126.98 130.25 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -129.96 148.85 18.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.574 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -163.63 164.32 24.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.389 . . . . 0.0 110.959 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.9 t -169.41 155.14 6.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.426 ' HA ' ' HG3' ' A' ' 115' ' ' PRO . 35.2 t70 -113.31 -49.97 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 176.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 p -79.81 57.58 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.9 m -137.51 -49.03 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.197 174.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.27 -157.99 11.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 168.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.09 161.89 36.62 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.413 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -54.03 -50.24 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.862 -175.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.78 -44.28 96.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.6 tp -64.47 -43.45 94.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -63.83 -47.27 81.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.9 ttp -61.99 -41.66 98.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.87 -44.3 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.63 -35.97 81.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.0 m -62.74 -43.13 99.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.411 ' N ' ' HA3' ' A' ' 112' ' ' GLY . 72.8 tp60 -67.41 -37.19 82.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.857 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -66.35 -47.25 74.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.544 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 17.6 ptp180 -65.71 -35.43 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 177.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' HB1' ' HB ' ' A' ' 110' ' ' THR . . . -64.69 -41.56 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 173.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -65.91 -33.87 76.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.0 m -64.07 -37.92 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.5 t -60.89 -45.39 98.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.094 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -60.85 -42.98 98.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.07 176.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.5 m -58.44 -44.52 89.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.79 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.88 -47.54 82.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.5 pt -70.92 -25.72 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.191 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.1 m -67.16 -36.18 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 169.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -90.01 12.76 16.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.76 10.49 55.26 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 165.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.484 HG22 HD11 ' A' ' 60' ' ' LEU . 89.1 t -83.01 127.99 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -56.91 122.91 13.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.41 -29.49 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -70.6 -15.31 62.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -174.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -94.15 -7.6 41.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.8 mt -101.21 135.75 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 -174.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -127.66 130.93 49.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 170.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.466 ' HB ' ' HB1' ' A' ' 91' ' ' ALA . 26.3 p -123.25 131.76 53.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -175.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -134.33 121.44 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.411 ' HA3' ' N ' ' A' ' 88' ' ' GLN . . . -94.03 136.84 13.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 167.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.85 152.51 50.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.815 0.34 . . . . 0.0 110.924 175.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.51 -163.96 13.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.565 162.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.426 ' HG3' ' HA ' ' A' ' 75' ' ' ASP . 77.4 Cg_exo -49.27 124.49 11.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.31 177.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.03 -64.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -132.57 90.68 32.54 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.574 0.702 . . . . 0.0 110.931 173.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.72 143.39 47.43 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.659 2.239 . . . . 0.0 112.37 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.8 mm -89.45 -45.38 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.51 166.97 23.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.5 t -66.01 136.19 55.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -171.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.11 -14.4 62.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.1 p -74.99 -10.8 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -169.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.5 p -121.92 151.68 40.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.04 83.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.072 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.83 -39.04 87.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.47 -38.15 95.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.31 -41.35 96.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 175.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.36 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.46 -25.86 64.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -63.98 -29.0 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.03 80.0 6.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.17 149.91 48.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.75 154.16 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -121.05 131.23 54.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 80.8 mt -117.07 121.42 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 172.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.6 m -112.87 126.85 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -175.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.3 mt -104.76 112.27 25.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 41.4 t -166.13 133.41 2.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.911 -175.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.03 135.98 46.29 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.1 mt -132.95 155.07 49.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.936 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 94.8 mt -108.01 90.07 3.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 175.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -167.12 165.01 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -155.74 155.38 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -136.96 -42.92 0.58 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 64.95 45.01 3.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -125.78 163.57 22.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 175.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -95.02 -55.03 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -178.841 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.4 t80 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.906 0.384 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -64.8 -29.02 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -171.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.6 mmm -68.96 -34.42 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.9 -29.52 62.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.806 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.32 -52.72 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.067 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -62.05 -45.61 92.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 173.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.37 -42.43 77.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.19 -40.8 96.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.56 -37.83 88.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -57.74 -43.81 85.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -67.4 -43.66 80.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.45 -31.13 71.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 79.8 mtm -96.4 1.34 51.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.791 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -108.11 81.13 1.45 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.95 52.7 4.18 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 -171.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 p -137.3 -40.17 0.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.081 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.23 6.22 74.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.445 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.2 m -132.05 153.03 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 -171.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.8 m -101.13 126.24 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.2 t -103.16 122.05 55.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.0 m -121.2 140.5 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -117.14 133.6 55.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -140.82 110.06 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.26 -124.98 28.75 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.538 -170.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -98.37 1.87 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 173.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -100.63 160.03 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.97 127.95 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.1 mt -116.81 120.12 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.5 tp -106.75 125.32 50.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.983 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -104.83 108.61 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.0 mtp -109.76 112.64 58.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.943 -175.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.2 132.73 35.08 Favored 'Trans proline' 0 N--CA 1.466 -0.116 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 172.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -66.3 -33.12 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -66.8 -24.98 66.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.5 t -107.05 -17.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.183 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.8 m -99.25 -42.32 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.119 -176.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -114.31 157.5 22.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -61.64 146.48 48.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.0 p -68.48 -26.43 65.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.2 p -91.74 -17.1 25.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -175.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 t -161.7 142.33 10.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.796 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.06 61.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.163 170.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.0 m -113.36 133.32 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 166.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 tp -58.75 131.28 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.778 ' HE2' ' HA ' ' A' ' 46' ' ' LYS . 10.2 mmpt? -87.77 156.75 52.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.886 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -51.8 -41.66 61.37 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.633 2.222 . . . . 0.0 112.336 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.22 -34.96 75.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.189 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.72 -37.52 57.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.33 90.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 111.163 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -65.73 -43.03 90.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.8 m -65.33 -44.17 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 176.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.04 -30.19 71.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.862 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.3 m -65.23 -38.48 90.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.164 170.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.61 -41.38 97.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.01 -41.11 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.349 . . . . 0.0 111.151 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.26 85.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 97.2 mmm -64.73 -21.9 66.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.15 -43.11 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.78 -28.89 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.64 -38.63 87.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.95 -32.36 63.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.941 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -120.26 78.24 26.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.764 . . . . 0.0 110.831 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.36 -23.69 75.31 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.764 2.309 . . . . 0.0 112.349 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.89 61.26 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.0 m -138.21 138.8 38.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 139' ' ' SER . . . -101.52 141.14 34.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 174.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.0 t -108.81 126.24 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.071 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -119.62 113.97 21.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.44 120.86 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -176.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.6 mt -124.29 123.13 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.067 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.31 141.47 16.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 172.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -149.94 150.24 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.955 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 t -171.16 155.48 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.187 173.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -114.61 -49.9 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.769 171.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.0 p -80.23 60.92 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.0 m -131.6 -53.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 172.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.551 ' HA3' HD23 ' A' ' 82' ' ' LEU . . . -165.45 -157.43 9.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.537 170.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.08 166.51 13.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.56 174.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -56.75 -50.61 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.24 -41.78 93.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD23 ' HA3' ' A' ' 78' ' ' GLY . 58.4 tp -65.6 -38.49 89.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 177.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -61.64 -41.1 97.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 98.0 mtp -72.01 -42.45 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.76 -45.43 78.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.56 -41.65 98.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 m -63.36 -38.97 93.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -62.67 -40.01 95.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.857 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.72 -40.14 84.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -61.55 -47.18 86.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.24 95.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.13 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -69.39 -32.08 70.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.9 m -64.36 -39.15 93.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 175.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.36 -45.73 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.048 172.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -61.82 -42.82 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.4 m -58.23 -43.95 87.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.22 96.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.093 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.14 -47.33 83.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.8 pt -71.47 -26.01 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.2 m -67.28 -36.84 82.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -90.13 13.19 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -177.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.23 10.24 49.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 163.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.9 t -83.76 126.02 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.165 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -55.78 124.99 19.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.65 -29.53 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.8 p -70.9 -14.05 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -91.8 -5.24 53.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.0 mt -110.22 138.02 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 -172.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -127.91 134.11 49.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.979 170.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.43 HG21 ' HB2' ' A' ' 95' ' ' ALA . 80.7 p -125.29 147.02 49.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 -175.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -147.3 129.96 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 172.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -92.81 132.51 11.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.424 166.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.76 150.66 50.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.93 -154.28 10.56 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 162.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.86 123.31 12.1 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.03 -65.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -129.69 101.88 18.36 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.57 0.7 . . . . 0.0 110.972 171.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -55.42 141.33 82.31 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.66 -49.15 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.83 165.62 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.43 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 40.8 t -66.59 135.03 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -169.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.01 -15.73 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 174.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.2 p -75.75 -9.65 58.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -170.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.9 p -122.41 152.38 40.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.69 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.83 -38.61 86.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.77 -38.21 95.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.556 176.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 131' ' ' ASN . 97.6 mttt -61.85 -40.61 95.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.743 0.306 . . . . 0.0 110.901 175.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.33 94.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.75 -26.62 64.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 128' ' ' LYS . 18.8 t-20 -61.98 -30.43 70.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 177.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -88.91 83.15 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -134.63 142.06 46.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -172.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 80.7 t -122.14 136.15 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 170.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -116.57 134.89 54.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -173.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 78.1 mt -116.68 122.37 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.084 176.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 96.7 m -110.18 124.81 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -176.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.9 mp -103.68 113.66 27.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.624 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 44.3 t -161.21 124.43 1.87 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.726 . . . . 0.0 110.959 -177.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 65.4 Cg_exo -54.68 134.49 62.73 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.266 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 93.9 mt -132.12 151.51 51.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 96.4 mt -113.08 88.28 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -165.76 160.02 16.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -137.94 150.19 46.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -135.01 -44.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 176.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 64.07 43.98 4.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -124.9 165.0 18.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -94.97 -55.03 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 178.867 . . . . . . . . 0 0 . 1 stop_ save_