data_2yt6_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 2yt6 _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 ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.6 mm -77.93 136.89 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.9 m-85 -139.43 142.89 37.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.03 144.46 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.21 116.54 29.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.559 HD22 ' CD1' ' A' ' 92' ' ' TRP . 5.0 mt -83.96 -31.61 25.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.54 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 2.8 m-85 -115.68 141.51 47.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.72 120.33 20.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.567 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 87.9 t80 -117.78 168.86 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 7.8 tt0 -135.1 120.31 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.06 111.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -66.54 -47.08 74.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.1 p -131.43 158.98 39.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 p -44.24 -36.06 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -62.64 -37.96 88.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.28 154.88 38.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -101.57 129.32 47.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.45 ' O ' ' NZ ' ' A' ' 72' ' ' LYS . 89.1 p -84.18 114.38 21.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.593 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 41.4 p90 -132.61 161.93 32.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -129.13 166.19 19.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.65 109.22 1.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.85 23.82 6.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 32.9 tt0 -117.07 137.85 52.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 mtt85 -93.01 158.17 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.593 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 37.6 m-85 -156.19 138.2 14.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.04 111.39 18.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.1 mm -67.3 106.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.8 mt -83.38 -48.72 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -132.93 126.54 32.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.537 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 4.4 p30 -127.79 45.02 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -74.59 -51.04 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.41 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 6.4 pt-20 -101.74 119.11 38.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.406 ' HA2' ' NE1' ' A' ' 63' ' ' TRP . . . -55.29 -39.48 72.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.94 -58.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.557 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 41.9 m95 -143.3 131.34 21.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.553 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 40.3 m0 -108.88 142.74 39.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -87.74 118.69 27.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.69 162.56 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -124.85 103.36 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 m -41.26 140.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mt -93.41 -29.24 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.02 -68.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.3 p -75.52 -34.55 60.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.29 17.62 42.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 45' ' ' SER . 9.3 mtmp? -75.29 173.93 10.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.6 p -156.12 138.96 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.458 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.9 -134.75 2.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.412 ' H ' ' N ' ' A' ' 44' ' ' LEU . 27.0 m-85 -132.18 129.68 40.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.56 HG21 ' CD1' ' A' ' 46' ' ' PHE . 41.4 pt -125.47 140.99 37.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.557 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.82 124.03 10.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.553 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 91.7 p -68.95 -3.11 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -90.18 -3.02 58.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.54 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.3 m-85 -117.99 -34.18 4.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.8 143.84 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.91 152.89 79.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.613 0.72 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.53 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.8 134.73 28.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -5.62 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -96.84 -41.62 8.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.37 25.72 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.9 OUTLIER -35.51 103.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -77.45 -18.51 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -121.04 25.77 9.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.622 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.1 pt-20 -35.43 -30.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 46.4 mt-10 -38.34 -32.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.671 ' CZ3' ' CB ' ' A' ' 93' ' ' TYR . 27.7 p-90 -62.74 -45.1 94.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.671 ' CB ' ' CZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.66 -31.29 32.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.562 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.7 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mm -73.77 138.07 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.0 m-85 -139.02 143.27 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 32' ' ' ALA . 3.4 t -119.31 145.77 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.402 ' N ' HG13 ' A' ' 31' ' ' VAL . . . -91.86 120.27 32.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 92' ' ' TRP . 8.5 mt -87.37 -33.14 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -116.29 149.32 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -79.0 122.96 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 90.1 t80 -125.47 165.22 18.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 11.4 tp10 -137.45 120.9 17.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.77 106.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -59.15 -45.81 89.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.3 p -128.77 155.98 44.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 t -43.87 -28.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -67.79 -39.39 84.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -74.44 161.2 30.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -106.3 132.02 52.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.443 ' N ' HD21 ' A' ' 44' ' ' LEU . 62.8 m -84.24 118.6 24.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 41.2 p90 -138.82 154.69 48.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -120.81 168.7 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.02 110.91 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.34 24.1 7.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 19.1 tt0 -116.31 136.99 52.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -92.45 154.74 18.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 42.9 m-85 -152.09 136.37 16.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -81.86 113.87 20.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.3 109.46 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.8 mt -85.97 -54.87 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -125.14 125.89 44.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -120.32 46.26 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 59' ' ' GLU . 3.2 t -91.15 -42.9 10.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' N ' HG22 ' A' ' 58' ' ' THR . 17.4 mt-10 -87.74 98.98 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.4 -32.01 29.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.52 -51.75 61.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.51 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 49.2 m95 -138.15 129.5 27.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.8 m0 -104.79 145.96 29.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -92.72 117.43 29.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.4 162.78 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -122.11 105.89 10.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 m -44.46 136.23 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.8 mt -88.68 -42.55 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.59 -64.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -75.87 -56.81 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.13 15.9 7.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -78.27 176.67 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 p -154.48 141.2 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.465 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.32 -136.88 2.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -132.53 120.41 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.49 HG23 ' CD1' ' A' ' 46' ' ' PHE . 28.4 pt -112.7 141.17 24.89 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.72 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.514 ' HD2' ' CZ ' ' A' ' 46' ' ' PHE . 53.7 Cg_endo -69.81 123.96 10.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.372 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 40.8 p -69.85 -1.78 10.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -92.17 -2.09 56.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -118.71 -33.71 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.6 m -102.85 148.05 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.1 153.0 74.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.8 133.06 24.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.37 -6.77 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -95.07 -41.71 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -109.25 26.11 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -36.6 103.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -77.89 -22.11 50.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -118.82 27.02 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.621 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.29 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 89' ' ' ALA . 28.0 mt-10 -37.57 -32.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.675 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.4 p-90 -62.94 -46.03 89.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.675 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.59 -31.31 36.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.3 mm -73.09 138.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.6 m-85 -139.39 143.37 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.67 146.56 24.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.55 113.94 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.566 HD23 ' CD1' ' A' ' 92' ' ' TRP . 6.1 mt -80.22 -35.16 36.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -113.85 149.34 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -80.17 118.3 21.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 91.2 t80 -115.11 165.06 13.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 4.8 tt0 -135.29 118.65 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.87 121.45 6.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -75.98 -42.95 46.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 p -129.85 -174.81 3.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 m -64.13 -45.56 87.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -60.89 -25.95 67.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -78.4 139.3 38.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -93.52 130.44 39.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.456 ' N ' HD23 ' A' ' 44' ' ' LEU . 60.0 p -85.82 116.19 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.618 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 36.2 p90 -135.56 159.35 41.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -128.52 166.52 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 33' ' ' LEU . 48.7 tttm -63.23 115.2 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.73 24.16 8.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 12.6 tt0 -119.0 137.22 53.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 18.2 mtt85 -92.85 162.01 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.618 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 48.2 m-85 -158.47 135.2 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -81.62 113.3 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.7 mm -66.63 105.02 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.8 mt -81.36 -48.7 18.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -134.67 131.14 37.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -123.66 42.92 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 59' ' ' GLU . 9.7 t -84.26 -43.32 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.474 ' N ' HG22 ' A' ' 58' ' ' THR . 5.4 mm-40 -87.68 102.22 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.4 -43.38 51.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -53.87 -54.19 42.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.518 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 31.3 m95 -134.81 137.58 43.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.548 ' CH2' ' OG ' ' A' ' 78' ' ' SER . 45.6 m0 -110.25 151.61 27.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.41 118.07 33.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.15 164.83 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -124.78 105.9 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.61 138.41 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.8 mt -93.29 -30.53 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.22 -63.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.3 p -80.12 -45.26 18.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.24 31.56 4.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -94.9 176.34 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.3 p -154.26 142.28 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.33 -135.76 2.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -132.8 119.95 20.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.436 ' CG2' ' CD1' ' A' ' 46' ' ' PHE . 34.0 pt -114.47 141.26 26.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.518 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.78 122.84 9.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.548 ' OG ' ' CH2' ' A' ' 63' ' ' TRP . 29.0 t -68.56 -2.23 8.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -91.48 -2.32 57.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.92 -33.96 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.5 m -102.33 140.43 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.45 152.57 79.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.549 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.0 Cg_endo -69.73 134.34 27.8 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.99 -6.35 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.09 -42.06 8.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.17 26.2 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 90' ' ' GLU . 1.0 OUTLIER -35.9 103.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.18 -19.84 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.55 26.37 9.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.617 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.6 pt-20 -34.98 -31.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 89' ' ' ALA . 44.6 mt-10 -37.07 -32.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.673 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.3 p-90 -63.13 -46.22 88.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.673 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.72 -31.17 36.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 7.3 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.775 0.321 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 mm -77.86 138.75 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.511 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.3 m-85 -140.98 142.53 34.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.06 146.19 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.1 110.6 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 92' ' ' TRP . 14.0 mt -74.22 -33.11 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -118.99 148.15 43.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.38 117.27 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 64.7 t80 -114.33 162.4 16.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 14.9 tt0 -130.99 121.5 25.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 45' ' ' SER . . . -51.41 122.77 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -78.11 -37.37 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.2 p -133.35 -174.74 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -71.87 -32.22 67.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.95 -20.82 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.27 140.87 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -90.49 126.86 36.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.445 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 55.3 p -89.13 112.68 23.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.602 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 7.1 p90 -122.39 168.77 11.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -128.79 164.46 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -64.66 114.94 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.01 21.82 17.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.7 tp10 -111.93 140.69 46.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 33.9 mtt180 -95.5 163.3 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 30.8 m-85 -160.55 136.61 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.58 111.69 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.2 mm -66.03 104.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.18 -45.75 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -142.77 129.46 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -122.57 42.76 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 59' ' ' GLU . 5.6 t -79.31 -42.6 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 58' ' ' THR . 28.1 mt-10 -87.69 101.84 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.01 -36.92 28.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -60.11 -51.24 70.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.826 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 26.6 m95 -139.49 137.98 35.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.436 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 44.0 m0 -111.5 148.34 33.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.5 116.05 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.59 159.45 41.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -122.3 106.74 11.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -46.24 139.36 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.1 mt -94.1 -21.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.36 -61.73 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 p -83.13 -28.6 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.47 10.8 67.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -70.86 172.06 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.406 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 36.0 p -153.23 144.43 23.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 170.76 -140.03 5.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.464 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 27.2 m-85 -125.99 127.45 45.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.948 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 35.4 pt -120.78 139.56 29.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.75 125.2 11.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.436 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 84.5 p -69.22 -10.65 58.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -83.06 -1.63 53.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -120.22 -36.01 3.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.8 m -102.21 140.54 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 33' ' ' LEU . 1.4 m -130.83 153.06 81.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.717 . . . . 0.0 111.195 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.511 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.74 134.67 28.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.5 -5.0 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -96.91 -41.74 8.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.22 23.16 14.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -33.13 103.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.078 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -78.1 -20.63 51.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.29 26.86 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.617 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.2 pt-20 -35.28 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 42.2 mt-10 -37.54 -33.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.683 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.8 p-90 -61.44 -46.26 90.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.683 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.05 -31.91 39.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 10.1 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.778 0.323 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.0 mm -74.4 137.4 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.9 m-85 -139.02 143.05 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 32' ' ' ALA . 3.4 t -117.93 145.27 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 31' ' ' VAL . . . -89.86 116.5 27.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.046 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.561 HD22 ' CD1' ' A' ' 92' ' ' TRP . 9.9 mt -82.89 -34.25 26.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.525 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.4 m-85 -117.49 150.67 38.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -81.37 121.17 25.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 90.8 t80 -121.63 150.43 41.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -118.81 121.03 39.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.81 106.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -60.99 -46.77 89.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 43' ' ' ASP . 21.2 p -131.37 153.05 50.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -42.22 -26.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -69.67 -41.46 75.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' THR . 2.7 m-20 -73.52 155.07 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.478 ' HG ' ' N ' ' A' ' 74' ' ' GLY . 0.6 OUTLIER -96.6 131.25 43.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.474 ' N ' HD23 ' A' ' 44' ' ' LEU . 45.7 p -87.48 114.48 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 25.9 p90 -134.51 159.77 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -127.41 161.08 29.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -58.24 119.27 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.85 21.37 18.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 27.6 tt0 -115.95 134.87 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.83 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.515 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 71.3 mtt180 -92.38 164.78 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 42.5 m-85 -160.15 144.74 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -88.4 111.5 21.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 mm -66.12 105.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.9 mt -81.77 -45.67 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -140.83 128.89 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.558 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 24.8 p30 -126.56 42.86 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 t -68.61 -49.76 56.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -105.65 122.0 45.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' ASP . . . -56.78 -45.2 91.44 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' GLY . 10.8 m-20 -35.29 -52.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 34.5 m95 -148.45 133.47 18.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.563 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.4 m0 -110.29 141.46 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -85.89 114.18 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.34 165.26 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.5 ttm-85 -128.91 106.69 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -39.15 142.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mt -96.68 -29.56 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.88 -60.82 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.7 p -78.23 -48.34 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.18 11.46 23.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -71.12 175.94 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.429 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 35.2 p -155.63 144.18 20.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.478 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.6 -143.76 7.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.432 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 30.2 m-85 -128.12 117.72 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.947 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 43.4 pt -111.89 139.96 22.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.82 123.02 9.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 53.1 p -66.66 -4.7 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -85.22 -15.88 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.525 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.4 m-85 -105.89 -32.65 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.8 m -102.25 150.87 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.69 152.99 67.44 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.632 0.73 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.79 133.38 25.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.53 -6.5 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -95.76 -41.8 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.4 25.64 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -35.36 103.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -77.6 -20.95 53.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -119.89 26.86 9.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.615 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -34.97 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ALA . 27.1 mt-10 -37.39 -31.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.669 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 28.4 p-90 -64.0 -45.79 87.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.669 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.97 -30.97 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.562 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 6.4 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.759 0.314 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.2 mm -77.78 137.06 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.3 m-85 -139.9 144.34 37.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 32' ' ' ALA . 3.7 t -118.96 147.59 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.446 ' N ' HG12 ' A' ' 31' ' ' VAL . . . -94.21 114.07 26.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.56 HD22 ' CD1' ' A' ' 92' ' ' TRP . 9.6 mt -76.22 -37.1 58.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.9 154.89 27.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.02 114.56 23.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 78.6 t80 -114.33 166.81 11.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.501 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 28.2 tt0 -133.71 123.24 24.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB3' ' N ' ' A' ' 45' ' ' SER . . . -51.96 114.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -61.96 -44.0 97.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 p -137.26 -178.44 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.3 t -62.71 -19.8 64.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' ' CD2' ' A' ' 75' ' ' TYR . 4.6 pt-20 -80.9 -29.86 35.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -84.33 149.46 26.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.482 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -97.39 129.61 44.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.466 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.7 m -87.52 114.21 23.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.68 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 22.4 p90 -128.7 151.24 49.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -111.63 160.9 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -62.08 112.82 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.65 20.38 13.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 5.0 tp10 -111.43 138.25 48.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 43.6 mtt180 -90.84 163.61 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 48.8 m-85 -159.85 136.91 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -82.35 111.71 18.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.0 mm -67.23 106.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.3 mt -82.57 -46.36 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -140.27 126.44 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.543 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 25.5 p30 -127.68 46.75 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 59' ' ' GLU . 7.6 t -73.71 -45.65 50.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.484 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 12.9 pt-20 -105.49 120.63 42.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' ASP . . . -55.15 -41.77 79.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' GLY . 19.2 m-20 -38.11 -59.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 36.4 m95 -143.41 133.46 24.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 44.0 m0 -111.16 137.55 48.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.18 122.4 27.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.93 161.75 36.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -124.06 108.45 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.1 t -45.1 134.83 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.813 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.9 mt -89.12 -33.85 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.57 -63.2 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.1 p -77.83 -52.51 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.77 13.23 11.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -74.6 176.58 6.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 p -154.23 145.16 22.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.471 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 172.44 -145.37 8.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 24.9 m-85 -126.17 122.66 36.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 37.6 pt -114.58 142.07 27.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 123.76 10.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.334 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 14.9 p -68.52 -3.72 12.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.62 -2.72 58.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -119.23 -32.52 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.2 m -102.25 152.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -144.03 152.96 56.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.606 0.717 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.8 133.89 26.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.6 -5.77 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -96.13 -41.75 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.57 25.12 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -35.82 103.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -77.38 -25.18 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -116.08 27.51 9.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.618 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.07 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 3.7 mm-40 -37.78 -32.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.665 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.0 p-90 -63.12 -45.77 90.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.665 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.06 -31.14 34.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.903 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.3 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.826 0.346 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 mm -72.01 137.36 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.5 m-85 -139.08 145.07 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.37 146.46 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.19 112.67 24.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.566 HD23 ' CD1' ' A' ' 92' ' ' TRP . 11.2 mt -77.09 -36.3 55.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.427 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.2 m-85 -116.12 150.7 36.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.13 114.46 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 85.3 t80 -110.42 168.96 9.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.513 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 20.3 tt0 -135.18 118.26 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.64 117.75 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.2 mtt-85 -65.15 -44.51 88.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 p -138.09 -176.15 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -57.98 -43.8 86.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.41 -34.03 73.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -73.74 143.68 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -95.01 124.65 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.422 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 60.0 p -83.23 113.49 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.629 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 45.6 p90 -130.76 161.18 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -129.83 166.48 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -62.56 117.94 6.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.34 15.71 31.78 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 6.9 tt0 -110.1 135.9 50.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.514 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 49.4 mtt180 -93.9 163.83 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 38.3 m-85 -160.01 136.54 8.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -81.77 113.54 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.7 mm -67.11 105.43 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.0 mt -80.77 -49.56 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -136.63 126.39 25.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -122.77 45.06 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 59' ' ' GLU . 7.4 t -81.42 -42.0 21.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.43 ' N ' HG21 ' A' ' 58' ' ' THR . 27.3 mt-10 -95.3 108.11 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.82 -46.22 54.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -44.27 -59.32 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 40.6 m95 -133.33 140.8 47.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.476 ' CH2' ' OG ' ' A' ' 78' ' ' SER . 44.5 m0 -114.22 144.78 42.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -91.88 118.42 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.26 164.15 28.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 19.1 ttp-105 -123.58 104.1 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -42.95 138.03 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.1 mt -97.32 -25.17 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.67 -48.73 30.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.085 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.2 p -100.58 -42.53 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.33 14.24 18.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -73.55 176.61 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.6 p -155.34 140.57 17.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 178.05 -145.34 6.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -127.42 117.36 22.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.528 HG23 ' CD1' ' A' ' 46' ' ' PHE . 37.5 pt -110.41 142.23 25.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.66 0.743 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.73 125.74 12.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.476 ' OG ' ' CH2' ' A' ' 63' ' ' TRP . 32.2 t -69.87 -4.94 22.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -88.48 -2.67 58.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 4.3 m-85 -119.3 -32.34 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -102.27 147.82 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.445 HG13 ' CD1' ' A' ' 33' ' ' LEU . 1.5 m -138.29 152.83 72.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.567 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.7 Cg_endo -69.79 134.82 28.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.42 -5.03 4.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.01 -41.64 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -108.38 23.44 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.5 103.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -77.34 -23.59 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -117.81 27.44 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.617 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.1 pt-20 -34.77 -31.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 4.5 mp0 -37.2 -33.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.678 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.1 p-90 -61.9 -46.63 88.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.678 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.93 -31.58 40.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.1 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.75 0.309 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.2 mm -78.13 138.28 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.053 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.3 m-85 -140.63 143.88 35.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.49 146.3 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.92 115.34 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.559 HD23 ' CD1' ' A' ' 92' ' ' TRP . 9.5 mt -79.55 -36.94 37.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -115.04 152.51 32.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -81.05 128.46 33.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.9 t80 -124.69 168.86 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.519 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 2.0 tp10 -136.04 121.77 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.01 111.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 16.9 mtm105 -63.31 -42.07 99.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.0 p -138.88 -175.02 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -64.14 -33.3 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -71.29 -23.82 62.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -84.92 144.06 28.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -94.66 129.95 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.454 ' N ' HD22 ' A' ' 44' ' ' LEU . 77.9 p -86.84 114.19 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 36' ' ' TYR . 30.2 p90 -130.05 168.27 17.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -134.17 160.47 37.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -61.48 112.35 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.91 18.18 11.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.7 tt0 -113.5 140.41 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 57.5 mtt180 -96.28 161.32 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.558 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 32.7 m-85 -157.82 141.4 15.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -85.63 110.19 19.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.1 mm -64.25 106.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.6 mt -83.12 -48.15 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -136.01 130.53 33.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -123.62 42.16 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 59' ' ' GLU . 10.0 t -83.06 -44.27 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.45 ' N ' HG22 ' A' ' 58' ' ' THR . 14.8 mt-10 -84.43 100.02 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.79 -36.4 26.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.99 -55.56 31.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 35.8 m95 -132.87 135.69 45.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 49.9 m0 -108.47 144.17 36.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -90.39 121.97 32.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.76 160.37 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -121.53 106.07 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 m -45.13 142.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.4 mt -93.86 -32.37 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.26 -56.45 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.2 p -80.59 -24.64 38.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.98 13.02 83.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -71.64 175.65 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 p -157.0 141.44 16.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.423 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 170.88 -136.47 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -131.84 128.47 38.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.49 HG23 ' CD1' ' A' ' 46' ' ' PHE . 35.7 pt -120.7 142.77 34.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 111.101 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.72 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.2 p -64.67 -6.22 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -87.21 -2.16 58.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -119.26 -30.96 4.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.5 141.71 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -131.48 152.84 81.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.49 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.74 133.94 26.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.316 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -5.64 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -96.25 -41.67 8.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.63 23.72 14.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.7 103.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.04 -25.0 52.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -116.87 28.24 8.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.617 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.9 pt-20 -35.24 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ALA . 28.1 mt-10 -37.78 -33.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.683 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 28.4 p-90 -62.37 -46.52 88.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.683 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.02 -31.24 39.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.6 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.1 mm -71.53 134.05 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.4 m-85 -137.25 141.67 42.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 32' ' ' ALA . 3.2 t -118.43 144.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.428 ' N ' HG13 ' A' ' 31' ' ' VAL . . . -89.02 113.78 24.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.572 HD21 ' CD1' ' A' ' 92' ' ' TRP . 13.2 mt -78.76 -36.04 43.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.413 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.1 m-85 -117.38 145.73 43.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -71.79 135.97 46.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 80.3 t80 -136.23 154.74 50.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -122.81 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.27 106.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -51.18 -24.25 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 t -173.72 165.4 4.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.2 p -37.69 -46.81 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -48.36 -49.27 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -76.95 162.32 27.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -104.74 130.3 52.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.8 p -86.03 117.7 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 36' ' ' TYR . 40.3 p90 -135.58 154.08 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -116.86 166.87 11.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -65.06 112.66 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.68 26.04 7.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 1.7 tp10 -115.19 139.63 49.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 27.7 mtt180 -93.33 160.83 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 30.2 m-85 -160.62 137.41 8.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -84.37 113.31 21.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.5 mm -65.69 108.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.3 mt -82.34 -51.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.64 131.11 44.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -122.49 45.44 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 t -91.73 -41.2 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -88.57 99.21 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.33 -47.19 35.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -49.04 -54.37 16.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 25.9 m95 -136.69 138.13 40.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 47.6 m0 -109.34 144.66 37.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -91.37 117.44 29.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.46 169.17 17.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -128.48 105.47 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -45.85 141.91 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.3 mt -97.33 -27.11 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.33 -67.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -78.14 -44.23 26.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.89 31.35 5.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -93.21 176.46 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.6 p -154.0 142.3 20.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.465 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 177.03 -136.15 3.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.482 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.435 ' H ' ' N ' ' A' ' 44' ' ' LEU . 15.5 m-85 -132.52 123.68 27.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.48 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 35.9 pt -118.14 139.68 26.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.678 0.752 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.79 119.83 6.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 59.9 p -64.33 -8.22 12.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -83.36 -8.02 59.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.413 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.8 m-85 -113.76 -33.96 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 m -102.69 139.09 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 33' ' ' LEU . 1.5 m -128.09 152.84 78.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.551 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.4 Cg_endo -69.79 132.13 22.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.94 -7.35 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -94.92 -40.85 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -111.62 29.87 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.422 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -40.79 103.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -77.22 -19.94 55.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -119.95 26.08 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.621 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.26 -30.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 89' ' ' ALA . 53.6 mt-10 -37.67 -32.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.687 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.6 p-90 -62.8 -46.47 87.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.687 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.9 -31.27 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.56 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.7 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.744 0.307 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.0 mm -79.34 138.48 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.3 m-85 -141.76 143.14 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -117.89 147.27 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.84 115.61 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 92' ' ' TRP . 12.5 mt -80.66 -35.28 34.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.443 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.9 m-85 -114.15 151.8 32.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -84.92 128.12 34.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 78.9 t80 -130.61 168.59 16.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.546 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 35.8 tp10 -136.47 121.42 18.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB1' ' N ' ' A' ' 45' ' ' SER . . . -51.45 112.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -64.85 -46.92 79.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.6 p -128.28 162.26 27.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -48.21 -32.73 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.52 -32.85 73.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.08 159.55 30.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -111.79 126.23 54.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.458 ' N ' ' HB1' ' A' ' 38' ' ' ALA . 4.7 t -86.24 139.74 30.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 3.9 p90 -151.04 166.25 31.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -126.76 157.01 40.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -58.46 106.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.16 29.35 4.31 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 4.3 tp10 -117.59 147.71 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.522 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 9.6 mtt85 -101.45 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 16.2 m-85 -161.04 136.09 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -81.75 113.19 19.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.9 mm -65.88 106.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.9 mt -83.4 -46.47 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -140.22 125.28 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.445 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 19.5 p30 -126.27 45.01 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.449 HG21 ' N ' ' A' ' 59' ' ' GLU . 7.9 t -74.78 -46.2 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' N ' HG21 ' A' ' 58' ' ' THR . 0.9 OUTLIER -102.81 119.82 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.14 -41.01 94.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' CD1' ' A' ' 62' ' ' TRP . 2.7 m-20 -40.67 -51.35 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 48.7 m95 -148.36 133.25 18.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 46.6 m0 -109.08 141.64 40.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -87.63 114.83 24.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.63 157.23 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -120.43 104.06 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 1.2 t -42.71 138.3 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.7 mt -96.62 -31.08 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.07 -57.82 4.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 75.9 p -90.89 -44.06 9.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.67 17.33 9.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -70.73 167.75 18.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.9 p -156.71 135.55 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.475 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 175.21 -131.43 1.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.473 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 19.4 m-85 -132.33 126.5 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.957 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 31.3 pt -122.25 140.88 33.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.8 118.85 5.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 96.0 p -63.11 -10.03 13.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -82.48 -4.05 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.7 m-85 -117.32 -31.81 5.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.3 m -102.95 146.45 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 33' ' ' LEU . 1.4 m -138.09 153.13 73.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.76 134.0 26.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.75 -5.58 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -96.26 -41.74 8.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.62 24.98 12.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -35.59 103.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -77.12 -20.95 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.08 27.12 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.619 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.8 pt-20 -34.97 -31.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 20.0 mt-10 -37.16 -33.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.694 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.0 p-90 -62.08 -47.78 83.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.694 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -78.53 -31.03 47.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.564 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.3 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.805 0.335 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.4 mm -76.5 139.16 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.4 m-85 -140.67 144.92 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 32' ' ' ALA . 3.7 t -121.96 146.9 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 31' ' ' VAL . . . -93.48 118.4 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 92' ' ' TRP . 5.6 mt -85.19 -32.62 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -114.93 154.19 29.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -83.76 119.81 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 91.1 t80 -120.43 160.2 23.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 19.1 tt0 -129.93 121.26 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -55.03 112.18 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -57.31 -21.21 33.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -171.84 163.57 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.6 m -38.18 -46.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -50.36 -43.1 54.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.6 154.52 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -97.18 127.58 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.429 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 2.5 p -85.79 111.95 20.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 36' ' ' TYR . 39.0 p90 -129.11 154.81 46.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -120.65 162.56 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -60.91 108.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.1 35.22 3.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 17.0 tt0 -128.02 135.63 50.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.908 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -92.74 155.68 17.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 35.8 m-85 -152.2 144.69 24.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -86.89 108.95 19.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.3 mm -64.49 104.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.1 mt -81.68 -47.17 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -135.03 124.11 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.401 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 25.4 p30 -117.57 38.9 3.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.7 t -85.06 -39.72 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 10.9 mt-10 -94.96 98.86 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.54 -55.18 14.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 17.2 p-10 -40.79 -48.14 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 41.1 m95 -144.35 131.44 20.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.48 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 38.0 m0 -108.79 149.54 28.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -93.66 110.67 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.13 153.07 48.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -117.7 108.29 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.4 t -42.11 135.73 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.4 mt -92.37 -24.98 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.04 -61.02 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.3 p -80.85 -51.47 8.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.53 10.71 12.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -70.94 171.91 9.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.0 p -154.47 144.0 21.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.454 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.4 -138.44 4.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.448 ' H ' ' N ' ' A' ' 44' ' ' LEU . 18.5 m-85 -132.45 127.22 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.52 HG21 ' CD1' ' A' ' 46' ' ' PHE . 32.2 pt -120.62 142.3 33.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.78 122.12 8.8 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.48 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 54.4 p -66.86 -4.02 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -89.04 -3.26 58.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -118.53 -32.49 4.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.2 m -102.11 147.64 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -138.87 152.67 70.86 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.643 0.735 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.77 133.28 25.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -6.91 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -95.2 -41.53 9.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -109.92 28.02 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.421 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -38.9 104.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -30.2 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -106.66 24.94 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.601 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -36.29 -28.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 89' ' ' ALA . 25.9 mt-10 -41.44 -32.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.686 ' CZ3' ' CB ' ' A' ' 93' ' ' TYR . 27.4 p-90 -61.82 -44.98 95.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.686 ' CB ' ' CZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.22 -32.09 38.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 9.2 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.769 0.319 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.7 mm -74.98 138.36 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.9 m-85 -139.9 145.39 37.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.99 146.89 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.8 114.37 26.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 92' ' ' TRP . 13.4 mt -79.47 -35.87 39.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -115.19 156.23 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 124.53 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 88.2 t80 -125.23 168.79 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 27.7 tt0 -138.09 120.54 16.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' HB1' ' N ' ' A' ' 45' ' ' SER . . . -51.59 110.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -60.09 -47.52 85.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.4 p -125.54 163.03 23.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -51.57 -23.22 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -76.85 -31.59 56.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.86 150.22 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -94.95 127.68 41.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.421 ' N ' ' HB1' ' A' ' 38' ' ' ALA . 6.2 m -87.74 118.27 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 36' ' ' TYR . 20.9 p90 -132.79 165.25 25.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -131.02 157.9 41.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -58.74 113.53 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.93 25.08 7.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 31.8 tt0 -119.56 139.28 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -94.05 158.58 15.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 36.0 m-85 -156.16 135.63 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -82.42 113.64 20.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.469 HG23 ' ND2' ' A' ' 57' ' ' ASN . 19.4 mm -64.82 112.24 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.0 mt -87.74 -49.48 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -137.98 123.26 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.542 ' OD1' ' CG ' ' A' ' 63' ' ' TRP . 8.6 m-20 -120.5 45.22 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.8 t -89.08 -41.04 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 58' ' ' THR . 17.5 mt-10 -91.75 97.11 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -43.93 -49.2 7.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -38.77 -59.97 0.89 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.748 0.309 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 36.4 m95 -138.63 138.65 38.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CG ' ' OD1' ' A' ' 57' ' ' ASN . 46.1 m0 -105.69 144.06 32.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.34 111.35 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.66 163.76 23.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -125.77 106.71 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t -42.34 141.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mt -96.18 -31.52 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.163 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.32 -60.96 2.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.5 p -79.55 -45.37 19.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.09 14.42 24.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -73.68 175.01 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.406 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 42.6 p -155.42 144.01 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.469 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 172.31 -140.12 5.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.47 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 22.0 m-85 -128.22 123.54 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.503 HG22 ' CD1' ' A' ' 46' ' ' PHE . 31.9 pt -118.37 140.97 28.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.77 123.61 10.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.2 p -66.95 -16.72 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -76.8 -2.28 32.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -119.29 -31.82 4.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.6 m -102.13 148.54 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.9 152.93 66.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.569 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.76 134.06 27.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.04 -4.92 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -96.91 -39.49 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -111.45 26.92 10.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.43 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -38.56 103.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -78.08 -21.1 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -117.88 25.66 10.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.622 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.92 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 89' ' ' ALA . 52.3 mt-10 -40.03 -32.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.675 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.4 p-90 -61.16 -43.85 98.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.675 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.57 -32.44 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.919 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.622 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.2 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.725 0.298 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.2 mm -79.34 140.72 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.499 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 16.5 m-85 -141.67 144.56 34.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.54 146.8 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.94 113.81 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 92' ' ' TRP . 12.0 mt -79.56 -35.4 39.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -116.46 143.85 45.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -73.98 130.56 40.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 75.0 t80 -128.35 168.57 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.549 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 7.8 tt0 -136.1 119.98 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.56 108.36 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -63.18 -47.77 81.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.8 p -127.34 158.2 37.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -45.97 -29.26 1.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.73 -37.05 76.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -74.64 145.78 42.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.464 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -91.27 130.43 37.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.423 ' N ' HD22 ' A' ' 44' ' ' LEU . 60.3 p -86.8 113.67 22.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.671 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 26.0 p90 -129.57 165.73 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -132.3 161.7 32.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -61.62 112.29 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.73 15.32 20.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.515 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 18.1 tt0 -109.49 135.8 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 52.0 mtt180 -88.02 161.44 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.671 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 55.8 m-85 -158.92 136.01 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -83.98 113.06 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.07 111.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.5 mt -88.51 -51.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -131.61 125.6 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -119.99 39.47 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.4 t -85.64 -42.62 14.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -83.29 97.8 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.51 -35.01 21.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.52 -53.79 51.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 38.4 m95 -135.85 138.21 42.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.489 ' CD2' ' HB3' ' A' ' 78' ' ' SER . 53.7 m0 -109.58 135.53 50.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -82.48 118.06 22.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.87 158.55 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.1 ttm-85 -119.51 109.47 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.39 138.48 13.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 mt -93.22 -43.8 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.85 -62.19 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -80.35 -50.59 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.22 16.29 10.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -76.82 176.66 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 p -153.94 139.26 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.402 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.83 -140.51 4.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -130.12 128.11 41.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.559 HG21 ' CD1' ' A' ' 46' ' ' PHE . 37.4 pt -121.88 139.68 30.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.81 116.14 4.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.489 ' HB3' ' CD2' ' A' ' 63' ' ' TRP . 76.1 p -57.03 -27.07 61.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -65.13 -5.97 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.48 -33.34 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.432 ' CG1' HD13 ' A' ' 76' ' ' ILE . 28.6 m -102.35 141.28 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 33' ' ' LEU . 1.4 m -133.59 152.9 79.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.717 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.499 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.5 Cg_endo -69.79 135.38 30.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -4.43 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -39.82 8.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -110.71 24.15 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -34.22 103.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -77.05 -17.79 58.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -122.45 26.23 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.615 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -34.97 -31.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 89' ' ' ALA . 22.9 mt-10 -37.41 -34.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.674 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 26.8 p-90 -60.94 -45.9 92.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.674 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.13 -31.36 34.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.565 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 7.0 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mm -73.76 137.0 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.3 m-85 -138.57 142.45 39.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.4 144.06 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.89 115.42 27.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' CD1' HG11 ' A' ' 82' ' ' VAL . 17.3 mt -80.89 -34.71 33.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.55 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 2.0 m-85 -117.76 139.88 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 130.43 40.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.569 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 79.7 t80 -129.79 168.7 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 13.4 tm-20 -136.35 119.97 17.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.402 ' CB ' ' OG ' ' A' ' 45' ' ' SER . . . -51.81 106.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -59.95 -47.72 84.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p -127.6 154.6 45.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -44.44 -23.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.47 -40.18 70.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -74.52 159.07 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -102.05 131.18 48.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.454 ' N ' HD23 ' A' ' 44' ' ' LEU . 54.1 m -84.53 118.01 24.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 39.2 p90 -137.06 162.18 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -130.77 168.84 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -64.89 117.12 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.47 23.63 12.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 17.6 tt0 -117.12 136.86 52.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 37.7 mtt-85 -93.38 163.34 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 34.7 m-85 -160.36 137.45 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -82.44 112.43 19.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.15 107.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.5 mt -82.78 -52.26 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -130.65 129.65 42.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -122.98 43.54 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.8 t -84.84 -44.99 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -88.47 103.63 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.28 -37.79 55.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -51.89 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.546 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 40.6 m95 -139.36 136.19 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.527 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.7 m0 -110.09 144.91 37.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -91.2 116.18 28.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.92 161.62 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -123.27 103.34 8.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.7 m -40.38 141.61 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mt -93.39 -48.9 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 p -76.96 -58.09 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.37 12.26 9.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -71.1 175.93 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.5 p -156.42 140.56 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.457 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 176.03 -138.89 4.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -128.68 128.79 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.503 HG22 ' CD1' ' A' ' 46' ' ' PHE . 34.8 pt -122.91 141.43 35.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.546 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.77 121.25 7.94 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 83.3 p -66.74 -4.1 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -88.41 -5.9 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.55 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.8 m-85 -114.79 -34.95 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.4 m -102.17 138.58 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.421 HG11 ' CD1' ' A' ' 33' ' ' LEU . 1.4 m -128.64 152.94 79.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.612 0.72 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.545 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.79 132.58 23.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.316 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.77 -7.34 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -94.44 -41.92 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -109.33 29.16 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.419 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -41.17 103.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -77.54 -16.57 58.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -122.9 25.29 8.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.608 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.2 pt-20 -35.2 -30.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 89' ' ' ALA . 3.1 mp0 -38.55 -35.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.695 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.9 p-90 -59.64 -45.07 93.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.695 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.6 -32.67 36.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.553 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.8 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.2 mm -76.5 141.03 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.536 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 14.4 m-85 -142.45 144.19 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.27 144.26 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.89 114.01 23.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.572 HD23 ' CD1' ' A' ' 92' ' ' TRP . 20.6 mt -77.56 -37.01 51.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.501 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.7 m-85 -118.63 144.31 46.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -72.29 135.21 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 59.4 t80 -136.18 158.26 44.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 2.1 tp10 -123.99 120.42 32.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -53.04 110.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -54.6 -28.65 47.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.9 168.52 19.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -44.81 -38.37 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.3 -40.92 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -81.46 156.4 25.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -100.16 126.7 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.455 ' N ' HD23 ' A' ' 44' ' ' LEU . 18.6 p -84.72 115.41 22.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 36' ' ' TYR . 33.6 p90 -131.01 166.54 20.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.829 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -132.98 165.58 24.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -64.14 113.6 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.69 24.66 8.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 16.0 tt0 -118.89 136.87 53.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 74.5 mtt180 -93.42 163.36 13.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 30.8 m-85 -159.78 142.9 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -86.3 108.73 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.1 mm -64.6 108.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.3 mt -83.81 -50.92 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -129.69 123.21 30.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -119.78 34.82 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.1 t -83.89 -45.23 13.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.435 ' N ' HG23 ' A' ' 58' ' ' THR . 13.8 mt-10 -81.66 97.43 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -48.29 -43.72 26.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -50.38 -60.88 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.493 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 64.2 m95 -128.88 138.11 51.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.418 ' CD2' ' HB3' ' A' ' 78' ' ' SER . 44.8 m0 -110.52 136.09 50.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.04 123.76 33.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.11 159.5 42.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -121.86 106.3 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.91 143.62 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.1 mt -96.68 -36.32 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.37 -57.45 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.6 p -78.98 -38.41 36.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.5 20.23 35.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -82.8 171.33 14.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 p -156.85 131.23 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.462 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . -176.89 -132.83 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -132.58 120.91 22.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 47.3 pt -114.99 141.41 26.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.493 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.75 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.418 ' HB3' ' CD2' ' A' ' 63' ' ' TRP . 94.2 p -60.87 -9.5 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -82.8 -4.18 57.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.501 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.9 m-85 -118.7 -30.27 5.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.46 ' CG1' HD13 ' A' ' 76' ' ' ILE . 35.1 m -102.34 145.77 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 33' ' ' LEU . 1.4 m -139.27 152.9 70.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.639 0.733 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.536 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.85 133.56 25.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -5.52 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -95.9 -41.77 8.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -107.96 23.25 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.7 OUTLIER -33.7 103.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.73 -23.0 49.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -118.59 27.76 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.612 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.5 pt-20 -35.49 -29.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' ALA . 25.8 mt-10 -39.22 -32.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.658 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.0 p-90 -62.39 -44.41 96.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.658 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -82.38 -31.37 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.56 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.0 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.776 0.322 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mm -77.47 141.75 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.46 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 18.9 m-85 -142.61 143.73 32.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.44 148.68 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.73 111.45 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.571 HD21 ' CD1' ' A' ' 92' ' ' TRP . 12.9 mt -76.54 -35.9 57.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -115.04 150.81 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.85 131.26 35.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.7 t80 -129.13 168.64 15.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.516 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 25.8 tp10 -136.37 119.95 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.91 110.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -65.42 -47.56 75.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 p -129.44 163.5 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 t -52.65 -23.08 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -77.12 -27.41 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.69 150.66 24.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -97.32 128.5 44.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.46 ' N ' HD22 ' A' ' 44' ' ' LEU . 1.3 t -85.55 137.11 33.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 36' ' ' TYR . 19.5 p90 -153.78 168.72 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -132.99 170.91 14.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -68.84 105.38 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.22 32.07 2.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.49 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 21.1 tt0 -126.03 137.35 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.506 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 65.6 mtt180 -90.68 163.59 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 47.5 m-85 -160.13 133.81 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -81.61 114.11 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.7 mm -66.87 109.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.6 mt -85.1 -48.43 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -137.06 128.62 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -121.6 41.96 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 59' ' ' GLU . 10.1 t -83.96 -44.58 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' N ' HG22 ' A' ' 58' ' ' THR . 22.4 mt-10 -82.83 98.62 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.32 -37.69 25.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.16 -54.35 47.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.563 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 35.8 m95 -133.88 140.15 46.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 78' ' ' SER . 53.7 m0 -110.95 143.01 42.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -91.48 118.26 30.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.15 159.88 40.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -117.68 109.26 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.9 p -50.56 132.96 25.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.1 mt -89.37 -30.02 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.162 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.42 -53.77 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.8 p -92.39 -54.52 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.1 5.88 11.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -70.81 176.74 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.5 p -156.06 139.85 16.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.463 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . -178.03 -135.05 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.441 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -132.48 124.4 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.535 HG23 ' CD1' ' A' ' 46' ' ' PHE . 38.7 pt -121.18 138.08 27.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.563 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.72 115.19 3.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.327 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.566 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 17.4 t -52.38 -41.77 63.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -49.41 -17.8 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -102.96 -36.66 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 76' ' ' ILE . 35.7 m -102.0 137.03 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.458 HG11 ' CD1' ' A' ' 33' ' ' LEU . 1.5 m -128.37 153.07 79.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.46 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.79 133.78 26.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.286 . . . . 0.0 112.315 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.69 -5.56 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -96.18 -41.65 8.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -108.5 25.06 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.424 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.93 103.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.179 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -78.62 -25.95 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -113.82 26.08 10.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.632 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.65 -28.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 89' ' ' ALA . 43.6 mt-10 -38.87 -31.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.697 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 35.2 p-90 -62.07 -47.37 84.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.697 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -77.48 -31.91 53.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.632 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.9 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.803 0.335 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.24 136.81 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.2 m-85 -138.24 142.86 39.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 32' ' ' ALA . 3.8 t -118.57 146.85 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' N ' HG12 ' A' ' 31' ' ' VAL . . . -91.83 114.11 26.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.567 HD22 ' CD1' ' A' ' 92' ' ' TRP . 8.7 mt -80.63 -34.37 35.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -116.55 147.96 41.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -77.39 124.46 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.9 t80 -126.76 163.92 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 35.7 tt0 -135.34 121.71 20.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HB3' ' N ' ' A' ' 45' ' ' SER . . . -52.57 106.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -60.33 -46.25 90.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.9 p -127.71 154.94 44.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.9 m -44.23 -26.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.75 -39.1 76.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -76.47 153.99 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -98.29 131.73 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.445 ' N ' ' HB3' ' A' ' 38' ' ' ALA . 44.3 m -85.21 116.05 23.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.672 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 34.6 p90 -134.08 158.17 44.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -124.86 160.93 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -59.71 113.93 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.2 22.76 9.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.478 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 16.9 tt0 -116.52 135.96 53.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -90.25 159.41 16.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.672 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 55.4 m-85 -156.27 135.04 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -81.64 112.23 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.6 mm -65.91 108.85 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.3 mt -83.99 -56.28 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -126.33 127.13 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -119.2 41.12 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 t -83.99 -43.28 15.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -89.52 101.88 14.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.03 50.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.2 -49.75 76.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.536 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 44.6 m95 -139.9 132.99 29.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.507 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.6 m0 -107.4 142.41 37.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -90.95 115.67 28.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.06 165.12 23.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -124.13 106.92 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -42.96 139.77 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.6 mt -94.68 -24.39 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.1 -59.91 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -81.75 -36.54 28.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.81 12.51 55.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -72.63 173.59 8.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.7 p -154.63 139.9 17.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.457 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 178.9 -134.83 2.42 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.415 ' H ' ' N ' ' A' ' 44' ' ' LEU . 20.7 m-85 -132.41 123.28 26.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.915 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.561 HG23 ' CD1' ' A' ' 46' ' ' PHE . 25.7 pt -116.48 140.14 26.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.536 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.0 Cg_endo -69.81 122.16 8.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 54.1 p -68.04 -2.77 8.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -91.07 -2.21 57.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.88 -34.79 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.2 m -102.07 140.84 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.179 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.35 153.07 81.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.54 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.82 134.1 27.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.47 -5.81 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -96.22 -41.74 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.08 23.97 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.2 103.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.78 -22.68 49.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -118.5 27.33 9.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.623 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.24 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 15.5 mt-10 -37.6 -32.24 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.668 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.0 p-90 -62.82 -46.16 89.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.668 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.61 -30.88 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.847 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.745 0.307 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.405 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 12.8 mm -76.9 145.35 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.6 m-85 -144.49 141.8 29.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -118.59 147.17 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.05 115.08 27.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.564 HD21 ' CD1' ' A' ' 92' ' ' TRP . 6.3 mt -81.48 -31.72 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -118.12 145.7 44.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.16 128.11 33.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 83.2 t80 -126.46 168.21 14.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 8.5 tt0 -135.02 118.92 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 110.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -64.27 -46.61 82.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 p -128.71 155.03 45.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -43.76 -29.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -67.99 -38.75 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -74.6 148.68 40.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' N ' ' H ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -93.03 130.25 38.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 p -87.41 113.17 22.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.651 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 17.8 p90 -126.43 163.98 22.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -125.91 165.19 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -66.12 108.09 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.95 21.99 8.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 tp10 -112.45 142.3 45.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 22.3 mtt85 -94.98 160.01 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 39.8 m-85 -157.71 135.4 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -81.91 111.76 18.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.45 HG13 ' CD1' ' A' ' 30' ' ' PHE . 43.9 mm -66.61 106.04 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.4 mt -82.48 -50.64 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -135.15 125.27 26.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.54 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 42.3 p30 -125.27 41.68 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.0 t -68.96 -45.2 71.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 9.7 pt-20 -107.57 122.23 46.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.9 -41.71 96.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -38.87 -52.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.336 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 58.1 m95 -147.18 133.38 19.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.9 m0 -111.34 141.0 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -87.68 115.54 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.28 159.37 39.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -120.1 105.95 11.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 m -43.74 139.63 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mt -94.75 -23.51 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.26 -63.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -80.34 -35.15 35.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.22 15.78 46.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -75.41 173.61 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.4 p -155.53 138.45 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.449 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.6 -133.12 1.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.474 ' H ' ' N ' ' A' ' 44' ' ' LEU . 21.6 m-85 -132.53 127.15 34.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.911 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.482 HG22 ' CD1' ' A' ' 46' ' ' PHE . 26.6 pt -121.81 140.21 31.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.3 Cg_endo -69.75 122.14 8.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.306 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 59.7 p -66.89 -4.45 9.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -88.67 -3.06 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.74 -34.06 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 m -102.3 146.59 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.36 153.17 72.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.549 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.0 Cg_endo -69.79 133.86 26.53 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -5.18 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.82 -41.74 8.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.2 23.56 14.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.9 OUTLIER -33.62 103.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -78.04 -28.44 49.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -110.58 25.68 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.648 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.81 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 89' ' ' ALA . 49.6 mt-10 -39.15 -30.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.67 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 33.6 p-90 -62.33 -45.19 94.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.67 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.23 -32.19 38.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 11.2 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.736 0.303 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 mm -76.24 135.99 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.4 m-85 -138.57 143.95 39.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -118.73 147.45 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.74 111.45 22.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.562 HD21 ' CD1' ' A' ' 92' ' ' TRP . 9.8 mt -76.6 -33.75 58.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -118.32 154.76 31.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -85.82 123.35 31.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 81.9 t80 -122.52 168.17 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 12.5 tt0 -135.14 121.71 20.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.452 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.59 112.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -67.28 -46.97 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' ASP . 31.0 p -130.64 158.02 41.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.6 m -44.12 -32.51 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.188 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.15 -36.79 77.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' THR . 3.9 m-20 -74.22 147.44 42.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.464 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -99.05 125.67 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.452 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 36.5 t -84.69 143.48 29.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 6.2 p90 -154.72 166.7 32.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -126.85 160.08 32.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -60.7 113.08 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.97 28.77 6.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 tp10 -118.54 146.29 44.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.59 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 18.6 mtt85 -100.53 162.2 13.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 51' ' ' ARG . 19.0 m-85 -160.7 134.99 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -81.49 114.51 20.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.9 mm -67.85 106.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.0 mt -81.71 -49.61 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -129.49 133.25 47.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -127.7 36.5 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -84.34 -35.21 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -94.53 96.66 9.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -48.76 -40.5 25.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.507 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -54.65 -54.36 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.524 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 46.6 m95 -135.96 134.3 38.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 48.1 m0 -105.83 143.64 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -91.77 113.19 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.44 160.27 34.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -119.32 107.02 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -46.08 134.42 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.9 mt -90.98 -37.97 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.61 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.5 p -89.6 -56.74 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.62 21.05 2.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -76.18 175.08 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.0 p -156.23 142.8 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 174.97 -138.01 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.444 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 17.9 m-85 -131.33 113.97 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 22.5 pt -106.31 141.09 22.03 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.732 . . . . 0.0 111.156 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.524 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 120.52 7.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 66.8 p -66.55 -5.66 12.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -87.93 -2.08 58.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.73 -33.6 4.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.9 m -102.22 141.65 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.33 153.0 81.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.84 133.42 25.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.316 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.57 -6.53 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -95.63 -41.75 8.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.52 25.57 11.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -35.24 103.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -77.06 -21.93 53.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -119.48 27.49 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.616 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.5 pt-20 -34.82 -31.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ALA . 44.3 mt-10 -37.15 -33.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.69 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.3 p-90 -62.63 -48.01 81.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.69 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -78.4 -31.11 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 7.4 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.757 0.313 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.1 mm -70.93 132.96 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.2 m-85 -135.56 143.48 45.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.0 t -117.74 147.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.87 110.15 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.058 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 92' ' ' TRP . 10.0 mt -78.0 -33.8 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.487 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.3 m-85 -116.9 149.7 39.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.67 125.42 30.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.9 t80 -123.2 169.04 11.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.508 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 28.6 tt0 -137.7 118.38 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.62 106.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -64.83 -45.09 87.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 p -132.25 151.34 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -41.74 -27.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -66.07 -43.22 88.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -77.61 153.35 33.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -94.93 132.62 39.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.46 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.3 p -86.87 115.65 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.645 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 22.4 p90 -131.01 173.09 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -138.94 163.36 32.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -61.63 116.72 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.19 28.1 8.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 19.0 tt0 -123.05 133.07 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 46.0 mtt180 -86.57 164.49 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.645 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 64.1 m-85 -160.22 135.44 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.55 114.02 20.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.09 110.48 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.2 mt -84.71 -52.73 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -131.7 129.5 40.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -120.57 42.72 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 59' ' ' GLU . 12.3 t -87.82 -33.87 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.467 ' N ' HG22 ' A' ' 58' ' ' THR . 13.2 mt-10 -98.7 98.55 9.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.15 -44.13 42.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -51.44 -51.28 56.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.49 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 46.0 m95 -139.97 131.33 26.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.478 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.4 m0 -104.72 142.64 34.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -89.15 113.7 24.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.53 166.25 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -127.01 103.33 7.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.48 143.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.0 mt -93.43 -62.1 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.7 -64.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.1 p -76.78 -57.83 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.55 15.21 7.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -70.79 175.53 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.1 p -154.73 143.32 20.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.464 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.89 -140.93 5.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.453 ' H ' ' N ' ' A' ' 44' ' ' LEU . 23.4 m-85 -128.52 121.0 27.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.945 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.483 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 30.4 pt -112.24 140.35 23.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.532 ' HD2' ' CZ ' ' A' ' 46' ' ' PHE . 53.5 Cg_endo -69.75 116.85 4.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 80.4 p -63.81 -7.1 6.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -86.72 -1.42 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.487 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.2 m-85 -120.02 -34.2 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.1 m -102.09 138.81 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.43 HG12 ' CD1' ' A' ' 33' ' ' LEU . 1.5 m -127.55 152.88 77.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.551 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.76 131.77 21.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.98 -7.76 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.03 -41.81 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -109.68 28.8 8.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.432 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -40.36 103.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.48 -27.17 46.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -111.97 25.96 11.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.638 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.83 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 89' ' ' ALA . 13.7 mt-10 -38.96 -31.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.698 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 34.5 p-90 -62.05 -47.23 85.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.698 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -77.82 -31.97 51.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.638 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.9 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 61.48 49.95 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -97.17 125.82 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.62 -131.6 1.96 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -133.02 121.39 22.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.0 p -70.65 155.59 40.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.32 70.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.64 93.84 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.5 t -60.69 87.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 p -170.52 144.81 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.7 p -136.42 115.56 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.05 130.34 56.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -83.93 111.2 19.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.52 138.11 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.144 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.49 132.99 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -70.57 108.91 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -90.94 102.12 14.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -57.09 150.56 16.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -74.2 151.5 88.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.669 0.747 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 138.5 38.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 p -93.65 178.2 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.94 55.3 18.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.4 mt -84.07 131.44 34.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -144.73 109.99 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.4 -166.94 39.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.67 53.07 0.84 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.486 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -116.03 147.59 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.887 0.375 . . . . 0.0 111.092 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m -123.23 139.32 54.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.6 mm -77.93 136.89 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.9 m-85 -139.43 142.89 37.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.03 144.46 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.21 116.54 29.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.559 HD22 ' CD1' ' A' ' 92' ' ' TRP . 5.0 mt -83.96 -31.61 25.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.54 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 2.8 m-85 -115.68 141.51 47.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.72 120.33 20.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.567 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 87.9 t80 -117.78 168.86 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 7.8 tt0 -135.1 120.31 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.06 111.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -66.54 -47.08 74.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.1 p -131.43 158.98 39.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 p -44.24 -36.06 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -62.64 -37.96 88.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.28 154.88 38.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -101.57 129.32 47.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.45 ' O ' ' NZ ' ' A' ' 72' ' ' LYS . 89.1 p -84.18 114.38 21.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.593 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 41.4 p90 -132.61 161.93 32.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -129.13 166.19 19.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.65 109.22 1.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.85 23.82 6.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 32.9 tt0 -117.07 137.85 52.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 mtt85 -93.01 158.17 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.593 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 37.6 m-85 -156.19 138.2 14.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.04 111.39 18.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.1 mm -67.3 106.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.8 mt -83.38 -48.72 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -132.93 126.54 32.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.537 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 4.4 p30 -127.79 45.02 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -74.59 -51.04 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.41 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 6.4 pt-20 -101.74 119.11 38.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.406 ' HA2' ' NE1' ' A' ' 63' ' ' TRP . . . -55.29 -39.48 72.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.94 -58.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.557 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 41.9 m95 -143.3 131.34 21.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.553 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 40.3 m0 -108.88 142.74 39.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -87.74 118.69 27.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.69 162.56 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -124.85 103.36 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 m -41.26 140.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mt -93.41 -29.24 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.02 -68.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.3 p -75.52 -34.55 60.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.29 17.62 42.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 45' ' ' SER . 9.3 mtmp? -75.29 173.93 10.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.6 p -156.12 138.96 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.458 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.9 -134.75 2.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.412 ' H ' ' N ' ' A' ' 44' ' ' LEU . 27.0 m-85 -132.18 129.68 40.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.56 HG21 ' CD1' ' A' ' 46' ' ' PHE . 41.4 pt -125.47 140.99 37.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.557 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.82 124.03 10.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.553 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 91.7 p -68.95 -3.11 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -90.18 -3.02 58.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.54 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.3 m-85 -117.99 -34.18 4.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.8 143.84 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.91 152.89 79.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.613 0.72 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.53 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.8 134.73 28.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -5.62 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -96.84 -41.62 8.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.37 25.72 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.9 OUTLIER -35.51 103.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -77.45 -18.51 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -121.04 25.77 9.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.622 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.1 pt-20 -35.43 -30.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 46.4 mt-10 -38.34 -32.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.671 ' CZ3' ' CB ' ' A' ' 93' ' ' TYR . 27.7 p-90 -62.74 -45.1 94.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.671 ' CB ' ' CZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.66 -31.29 32.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.562 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.7 m-85 -61.28 -48.1 82.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.81 -45.97 2.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -103.42 82.52 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.748 0.309 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.9 ptm -64.51 -6.91 8.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 51.6 -96.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -146.88 127.69 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -171.19 168.99 6.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.75 158.6 17.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.49 139.5 35.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -81.64 82.94 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.6 p -89.08 124.32 34.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 152.91 83.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -21.99 33.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.399 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.3 m -52.69 -56.3 16.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m -47.51 109.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -100.37 -47.97 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.919 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m 41.41 42.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.91 130.43 9.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -101.98 -56.34 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -97.85 152.77 18.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.55 -168.2 39.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.04 140.46 46.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -89.68 42.83 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.1 p -163.86 118.05 1.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 13.8 m -149.28 140.22 22.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 11' ' ' SER . 37.6 m-85 -144.44 135.02 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.3 p -157.71 -178.84 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 15' ' ' VAL . 7.3 p -99.24 138.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 16' ' ' SER . 7.7 p -68.23 -47.2 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.435 ' N ' HG13 ' A' ' 15' ' ' VAL . 2.4 m -101.29 175.92 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -118.73 44.43 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -116.8 172.11 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -130.76 153.39 81.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.679 0.752 . . . . 0.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 21' ' ' THR . 53.4 Cg_endo -69.82 94.66 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' PRO . 9.9 t -37.16 150.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.71 105.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -126.55 174.31 8.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.0 p -129.76 -48.54 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.28 152.05 9.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.55 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.53 -73.73 0.28 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -118.35 140.8 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -122.15 131.35 53.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mm -73.77 138.07 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.0 m-85 -139.02 143.27 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 32' ' ' ALA . 3.4 t -119.31 145.77 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' N ' HG13 ' A' ' 31' ' ' VAL . . . -91.86 120.27 32.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 92' ' ' TRP . 8.5 mt -87.37 -33.14 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -116.29 149.32 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -79.0 122.96 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 90.1 t80 -125.47 165.22 18.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 11.4 tp10 -137.45 120.9 17.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.77 106.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -59.15 -45.81 89.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.3 p -128.77 155.98 44.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 t -43.87 -28.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -67.79 -39.39 84.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -74.44 161.2 30.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -106.3 132.02 52.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.443 ' N ' HD21 ' A' ' 44' ' ' LEU . 62.8 m -84.24 118.6 24.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 41.2 p90 -138.82 154.69 48.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -120.81 168.7 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.02 110.91 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.34 24.1 7.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 19.1 tt0 -116.31 136.99 52.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -92.45 154.74 18.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 42.9 m-85 -152.09 136.37 16.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -81.86 113.87 20.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.3 109.46 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.8 mt -85.97 -54.87 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -125.14 125.89 44.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -120.32 46.26 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 59' ' ' GLU . 3.2 t -91.15 -42.9 10.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' N ' HG22 ' A' ' 58' ' ' THR . 17.4 mt-10 -87.74 98.98 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.4 -32.01 29.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.52 -51.75 61.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.51 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 49.2 m95 -138.15 129.5 27.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.8 m0 -104.79 145.96 29.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -92.72 117.43 29.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.4 162.78 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -122.11 105.89 10.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 m -44.46 136.23 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.8 mt -88.68 -42.55 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.59 -64.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -75.87 -56.81 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.13 15.9 7.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -78.27 176.67 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 p -154.48 141.2 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.465 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.32 -136.88 2.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -132.53 120.41 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.49 HG23 ' CD1' ' A' ' 46' ' ' PHE . 28.4 pt -112.7 141.17 24.89 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.72 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.514 ' HD2' ' CZ ' ' A' ' 46' ' ' PHE . 53.7 Cg_endo -69.81 123.96 10.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.372 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 40.8 p -69.85 -1.78 10.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -92.17 -2.09 56.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -118.71 -33.71 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.6 m -102.85 148.05 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.1 153.0 74.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.8 133.06 24.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.37 -6.77 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -95.07 -41.71 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -109.25 26.11 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -36.6 103.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -77.89 -22.11 50.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -118.82 27.02 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.621 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.29 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 89' ' ' ALA . 28.0 mt-10 -37.57 -32.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.675 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.4 p-90 -62.94 -46.03 89.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.675 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.59 -31.31 36.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.0 m-85 -61.14 -50.92 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.95 -46.2 4.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.478 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -92.16 49.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 37.9 ttm -69.65 157.28 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.74 -141.71 7.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 101' ' ' ASP . 21.2 mtp85 -74.67 -31.69 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 99' ' ' ARG . 0.6 OUTLIER 31.27 38.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' ARG . 22.8 t70 -64.98 88.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.26 83.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 104' ' ' SER . 7.4 pt-20 -61.51 106.25 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 103' ' ' GLU . 3.8 m 35.78 49.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -82.99 145.81 23.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 151.04 68.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.9 m -153.07 144.95 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.2 t -91.51 -55.42 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 p -149.06 172.25 15.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.2 p -137.67 175.87 9.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.29 164.78 33.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -154.98 123.31 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -170.1 133.5 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.63 160.17 10.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.24 149.82 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 111.077 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -148.51 134.79 19.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.437 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 39.4 m -81.65 41.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' SER . 96.9 p 34.73 40.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CD2' ' O ' ' A' ' 10' ' ' SER . 13.2 m-85 -131.28 84.72 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 t -166.79 136.54 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.9 m -117.68 138.51 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.0 m -159.47 133.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.2 p -42.85 141.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 m -86.14 -38.92 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -116.03 120.46 39.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -71.42 150.54 93.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.746 . . . . 0.0 110.939 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 166.79 26.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.27 . . . . 0.0 112.379 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.7 p -99.56 153.12 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.39 86.38 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.33 103.38 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.4 m -144.74 139.42 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.54 -162.06 32.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.448 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.25 -37.27 11.27 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 28' ' ' THR . 58.6 t -93.39 140.94 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.449 ' N ' HG11 ' A' ' 27' ' ' VAL . 12.0 m -104.48 130.71 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.3 mm -73.09 138.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.6 m-85 -139.39 143.37 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.67 146.56 24.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.55 113.94 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.566 HD23 ' CD1' ' A' ' 92' ' ' TRP . 6.1 mt -80.22 -35.16 36.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -113.85 149.34 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -80.17 118.3 21.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 91.2 t80 -115.11 165.06 13.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 4.8 tt0 -135.29 118.65 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.87 121.45 6.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -75.98 -42.95 46.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 p -129.85 -174.81 3.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 m -64.13 -45.56 87.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -60.89 -25.95 67.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -78.4 139.3 38.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -93.52 130.44 39.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.456 ' N ' HD23 ' A' ' 44' ' ' LEU . 60.0 p -85.82 116.19 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.618 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 36.2 p90 -135.56 159.35 41.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -128.52 166.52 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 33' ' ' LEU . 48.7 tttm -63.23 115.2 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.73 24.16 8.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 12.6 tt0 -119.0 137.22 53.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 18.2 mtt85 -92.85 162.01 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.618 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 48.2 m-85 -158.47 135.2 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -81.62 113.3 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.7 mm -66.63 105.02 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.8 mt -81.36 -48.7 18.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -134.67 131.14 37.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -123.66 42.92 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 59' ' ' GLU . 9.7 t -84.26 -43.32 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.474 ' N ' HG22 ' A' ' 58' ' ' THR . 5.4 mm-40 -87.68 102.22 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.4 -43.38 51.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -53.87 -54.19 42.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.518 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 31.3 m95 -134.81 137.58 43.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.548 ' CH2' ' OG ' ' A' ' 78' ' ' SER . 45.6 m0 -110.25 151.61 27.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.41 118.07 33.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.15 164.83 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -124.78 105.9 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.61 138.41 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.8 mt -93.29 -30.53 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.22 -63.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.3 p -80.12 -45.26 18.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.24 31.56 4.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -94.9 176.34 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.3 p -154.26 142.28 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.33 -135.76 2.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -132.8 119.95 20.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.436 ' CG2' ' CD1' ' A' ' 46' ' ' PHE . 34.0 pt -114.47 141.26 26.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.518 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.78 122.84 9.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.548 ' OG ' ' CH2' ' A' ' 63' ' ' TRP . 29.0 t -68.56 -2.23 8.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -91.48 -2.32 57.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.92 -33.96 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.5 m -102.33 140.43 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.45 152.57 79.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.549 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.0 Cg_endo -69.73 134.34 27.8 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.99 -6.35 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.09 -42.06 8.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.17 26.2 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 90' ' ' GLU . 1.0 OUTLIER -35.9 103.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.18 -19.84 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.55 26.37 9.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.617 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.6 pt-20 -34.98 -31.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 89' ' ' ALA . 44.6 mt-10 -37.07 -32.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.673 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.3 p-90 -63.13 -46.22 88.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.673 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.72 -31.17 36.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 7.3 m-85 -61.65 -46.75 88.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.45 -49.83 1.95 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -94.72 107.47 19.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.8 mtm -109.39 -56.42 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.64 -87.96 0.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -139.27 162.63 34.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -100.16 125.26 46.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -126.99 174.98 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.14 105.72 15.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -174.28 108.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 75.5 p -150.87 138.13 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -110.63 83.09 0.31 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 104.4 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.362 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.0 t -155.83 152.39 28.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -93.29 151.61 19.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.1 p -125.46 83.65 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.892 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -142.0 108.13 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.29 71.1 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -60.58 143.77 53.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -99.27 -51.15 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.05 -163.31 12.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.8 104.45 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -107.37 41.82 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.809 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.9 p -143.14 177.99 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.7 t -105.13 155.11 19.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.479 ' CD2' ' HB2' ' A' ' 13' ' ' SER . 48.0 p90 -43.54 -47.02 7.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 12' ' ' PHE . 4.6 t -118.39 -59.53 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.9 m -145.13 143.42 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 16' ' ' SER . 94.8 t -62.39 136.5 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.438 ' N ' HG12 ' A' ' 15' ' ' VAL . 92.6 p -84.58 99.33 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 m -127.68 91.2 3.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.0 m -115.74 83.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -134.3 151.78 76.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.717 0.77 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.408 ' HG2' ' CG ' ' A' ' 23' ' ' LEU . 53.8 Cg_endo -69.76 -176.73 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 p -106.68 125.5 51.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.64 86.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' CG ' ' HG2' ' A' ' 20' ' ' PRO . 6.0 mp -105.41 165.67 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p -77.08 177.18 8.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.46 -140.7 14.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.67 73.01 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.1 t -111.11 136.02 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 111.108 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 m -125.97 136.29 52.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 mm -77.86 138.75 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.511 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.3 m-85 -140.98 142.53 34.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.06 146.19 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.1 110.6 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 92' ' ' TRP . 14.0 mt -74.22 -33.11 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -118.99 148.15 43.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.38 117.27 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 64.7 t80 -114.33 162.4 16.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 14.9 tt0 -130.99 121.5 25.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 45' ' ' SER . . . -51.41 122.77 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -78.11 -37.37 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.2 p -133.35 -174.74 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -71.87 -32.22 67.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.95 -20.82 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.27 140.87 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -90.49 126.86 36.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.445 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 55.3 p -89.13 112.68 23.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.602 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 7.1 p90 -122.39 168.77 11.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -128.79 164.46 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -64.66 114.94 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.01 21.82 17.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.7 tp10 -111.93 140.69 46.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 33.9 mtt180 -95.5 163.3 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 30.8 m-85 -160.55 136.61 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.58 111.69 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.2 mm -66.03 104.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.18 -45.75 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -142.77 129.46 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -122.57 42.76 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 59' ' ' GLU . 5.6 t -79.31 -42.6 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 58' ' ' THR . 28.1 mt-10 -87.69 101.84 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.01 -36.92 28.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -60.11 -51.24 70.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.826 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 26.6 m95 -139.49 137.98 35.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.436 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 44.0 m0 -111.5 148.34 33.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.5 116.05 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.59 159.45 41.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -122.3 106.74 11.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -46.24 139.36 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.1 mt -94.1 -21.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.36 -61.73 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 p -83.13 -28.6 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.47 10.8 67.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -70.86 172.06 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.406 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 36.0 p -153.23 144.43 23.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 170.76 -140.03 5.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.464 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 27.2 m-85 -125.99 127.45 45.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.948 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 35.4 pt -120.78 139.56 29.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.75 125.2 11.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.436 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 84.5 p -69.22 -10.65 58.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -83.06 -1.63 53.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -120.22 -36.01 3.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.8 m -102.21 140.54 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 33' ' ' LEU . 1.4 m -130.83 153.06 81.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.717 . . . . 0.0 111.195 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.511 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.74 134.67 28.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.5 -5.0 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -96.91 -41.74 8.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.22 23.16 14.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -33.13 103.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.078 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -78.1 -20.63 51.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.29 26.86 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.617 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.2 pt-20 -35.28 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 42.2 mt-10 -37.54 -33.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.683 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.8 p-90 -61.44 -46.26 90.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.683 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.05 -31.91 39.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 10.1 m-85 -60.21 -46.19 90.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.88 -50.82 1.33 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.511 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -95.07 91.84 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.308 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 49.7 mtp -93.72 170.35 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.16 114.4 0.92 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.446 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -80.57 94.07 6.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.19 126.76 27.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.56 107.93 14.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -40.97 103.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -87.18 84.86 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.6 p -115.71 122.98 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.42 -158.45 19.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 99.22 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.6 m -63.25 144.22 57.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.9 p -95.88 55.79 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -173.9 163.58 4.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.8 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -173.75 170.16 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.24 159.89 30.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -169.23 172.05 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -117.51 167.55 11.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.97 134.07 11.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.95 141.79 47.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 p -158.03 128.86 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 m -106.39 174.08 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.5 p -106.24 -51.73 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 62.93 33.74 14.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.6 p -61.36 83.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.0 t -130.23 110.14 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -146.08 151.53 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -79.66 155.9 27.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 t -67.57 -62.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -173.91 175.96 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -155.83 151.57 22.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.697 0.76 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 154.75 67.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.3 p -99.0 39.07 1.3 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.64 37.55 2.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.38 40.24 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.1 m -125.96 112.64 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.51 104.93 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.94 -79.67 0.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 28' ' ' THR . 95.4 t -121.32 143.56 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.402 ' N ' HG13 ' A' ' 27' ' ' VAL . 15.0 m -104.79 133.36 49.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.0 mm -74.4 137.4 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.9 m-85 -139.02 143.05 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 32' ' ' ALA . 3.4 t -117.93 145.27 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 31' ' ' VAL . . . -89.86 116.5 27.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.046 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.561 HD22 ' CD1' ' A' ' 92' ' ' TRP . 9.9 mt -82.89 -34.25 26.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.525 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.4 m-85 -117.49 150.67 38.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -81.37 121.17 25.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 90.8 t80 -121.63 150.43 41.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -118.81 121.03 39.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.81 106.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -60.99 -46.77 89.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 43' ' ' ASP . 21.2 p -131.37 153.05 50.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -42.22 -26.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -69.67 -41.46 75.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' THR . 2.7 m-20 -73.52 155.07 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.478 ' HG ' ' N ' ' A' ' 74' ' ' GLY . 0.6 OUTLIER -96.6 131.25 43.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.474 ' N ' HD23 ' A' ' 44' ' ' LEU . 45.7 p -87.48 114.48 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 25.9 p90 -134.51 159.77 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -127.41 161.08 29.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -58.24 119.27 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.85 21.37 18.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 27.6 tt0 -115.95 134.87 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.83 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 71.3 mtt180 -92.38 164.78 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 42.5 m-85 -160.15 144.74 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -88.4 111.5 21.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 mm -66.12 105.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.9 mt -81.77 -45.67 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -140.83 128.89 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.558 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 24.8 p30 -126.56 42.86 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 t -68.61 -49.76 56.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -105.65 122.0 45.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' ASP . . . -56.78 -45.2 91.44 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' GLY . 10.8 m-20 -35.29 -52.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 34.5 m95 -148.45 133.47 18.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.563 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.4 m0 -110.29 141.46 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -85.89 114.18 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.34 165.26 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.5 ttm-85 -128.91 106.69 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -39.15 142.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mt -96.68 -29.56 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.88 -60.82 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.7 p -78.23 -48.34 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.18 11.46 23.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -71.12 175.94 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.429 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 35.2 p -155.63 144.18 20.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.478 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.6 -143.76 7.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.432 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 30.2 m-85 -128.12 117.72 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.947 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 43.4 pt -111.89 139.96 22.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.82 123.02 9.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 53.1 p -66.66 -4.7 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -85.22 -15.88 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.525 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.4 m-85 -105.89 -32.65 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.8 m -102.25 150.87 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.69 152.99 67.44 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.632 0.73 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.79 133.38 25.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.53 -6.5 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -95.76 -41.8 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.4 25.64 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -35.36 103.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -77.6 -20.95 53.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -119.89 26.86 9.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.615 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -34.97 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ALA . 27.1 mt-10 -37.39 -31.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.669 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 28.4 p-90 -64.0 -45.79 87.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.669 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.97 -30.97 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.562 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 6.4 m-85 -62.09 -50.79 70.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.79 -45.41 4.24 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -97.94 114.53 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 98' ' ' GLY . 28.7 mtm -39.42 -65.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 97' ' ' MET . . . 36.35 39.9 0.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -77.33 -175.79 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -134.49 103.97 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.53 107.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -174.28 172.51 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -76.54 145.37 39.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.0 p -88.5 -47.76 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.49 80.52 1.37 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 125.04 11.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 m -132.24 135.7 46.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -109.3 142.84 39.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.439 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -127.09 129.67 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.813 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 m -146.87 164.63 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.71 -154.91 9.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -93.95 167.03 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -96.59 -57.44 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.94 59.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.433 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.09 104.83 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.1 p -167.98 135.65 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 m -148.99 168.4 23.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.805 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 t -127.28 -54.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -115.16 91.64 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.7 m -106.71 157.53 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' VAL . 28.3 m -107.39 -41.12 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' VAL . 24.3 m 36.4 38.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 t -137.43 146.32 44.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -116.9 116.99 28.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.0 p -96.15 98.38 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -157.87 145.3 13.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' THR . 53.5 Cg_endo -69.77 86.84 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' PRO . 5.2 t -34.05 146.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.85 34.79 1.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 ' N ' HD22 ' A' ' 23' ' ' LEU . 3.9 mm? -96.51 110.2 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.908 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.6 m -154.2 132.66 12.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.49 96.15 0.63 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.15 -45.37 3.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.1 t -95.83 142.82 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 111.081 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m -118.67 140.38 50.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.2 mm -77.78 137.06 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.3 m-85 -139.9 144.34 37.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 32' ' ' ALA . 3.7 t -118.96 147.59 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.446 ' N ' HG12 ' A' ' 31' ' ' VAL . . . -94.21 114.07 26.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.56 HD22 ' CD1' ' A' ' 92' ' ' TRP . 9.6 mt -76.22 -37.1 58.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.9 154.89 27.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.02 114.56 23.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 78.6 t80 -114.33 166.81 11.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.501 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 28.2 tt0 -133.71 123.24 24.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB3' ' N ' ' A' ' 45' ' ' SER . . . -51.96 114.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -61.96 -44.0 97.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 p -137.26 -178.44 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.3 t -62.71 -19.8 64.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' ' CD2' ' A' ' 75' ' ' TYR . 4.6 pt-20 -80.9 -29.86 35.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -84.33 149.46 26.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.482 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -97.39 129.61 44.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.466 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.7 m -87.52 114.21 23.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.68 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 22.4 p90 -128.7 151.24 49.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -111.63 160.9 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -62.08 112.82 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.65 20.38 13.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 5.0 tp10 -111.43 138.25 48.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 43.6 mtt180 -90.84 163.61 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 48.8 m-85 -159.85 136.91 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -82.35 111.71 18.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.0 mm -67.23 106.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.3 mt -82.57 -46.36 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -140.27 126.44 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.543 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 25.5 p30 -127.68 46.75 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 59' ' ' GLU . 7.6 t -73.71 -45.65 50.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.484 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 12.9 pt-20 -105.49 120.63 42.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' ASP . . . -55.15 -41.77 79.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' GLY . 19.2 m-20 -38.11 -59.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 36.4 m95 -143.41 133.46 24.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 44.0 m0 -111.16 137.55 48.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.18 122.4 27.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.93 161.75 36.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -124.06 108.45 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.1 t -45.1 134.83 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.813 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.9 mt -89.12 -33.85 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.57 -63.2 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.1 p -77.83 -52.51 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.77 13.23 11.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -74.6 176.58 6.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 p -154.23 145.16 22.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.471 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 172.44 -145.37 8.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 24.9 m-85 -126.17 122.66 36.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 37.6 pt -114.58 142.07 27.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 123.76 10.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.334 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 14.9 p -68.52 -3.72 12.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.62 -2.72 58.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -119.23 -32.52 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.2 m -102.25 152.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -144.03 152.96 56.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.606 0.717 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.8 133.89 26.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.6 -5.77 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -96.13 -41.75 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.57 25.12 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -35.82 103.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -77.38 -25.18 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -116.08 27.51 9.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.618 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.07 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 3.7 mm-40 -37.78 -32.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.665 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.0 p-90 -63.12 -45.77 90.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.665 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.06 -31.14 34.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.903 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.3 m-85 -61.48 -51.01 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.6 -44.34 4.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -106.94 85.96 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.8 ttp -101.25 119.64 39.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.65 -80.75 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 99' ' ' ARG . 16.7 ttp-105 -167.62 119.23 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -171.53 153.72 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -128.46 123.95 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.07 167.07 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -172.29 153.79 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.4 p -125.34 151.64 45.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -146.11 84.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.59 4.63 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.731 2.288 . . . . 0.0 112.324 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.1 t -161.04 139.27 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 t -87.16 -56.46 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t 57.26 42.21 25.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.832 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -93.99 103.12 15.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.53 -97.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -81.64 153.15 26.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 p -80.34 98.79 7.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.79 66.9 1.37 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.13 127.99 52.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -129.69 155.47 45.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.5 m -141.51 163.64 32.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 m -144.06 169.73 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -63.44 131.19 47.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 t -70.37 -48.07 57.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -132.28 93.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -89.18 138.19 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -139.28 165.27 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -125.09 -65.26 1.03 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.9 p -124.61 154.9 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -157.77 148.37 16.06 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.69 0.757 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.415 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 53.3 Cg_endo -69.79 109.86 2.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.294 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -93.61 169.17 10.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.81 28.21 73.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' A' ' 20' ' ' PRO . 68.8 mt -65.82 -19.23 65.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.907 0.384 . . . . 0.0 110.93 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 p -44.3 -70.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.25 -106.14 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.08 -41.38 22.38 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -101.96 140.22 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.953 0.406 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -98.22 127.24 44.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 mm -72.01 137.36 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.5 m-85 -139.08 145.07 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.37 146.46 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.19 112.67 24.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.566 HD23 ' CD1' ' A' ' 92' ' ' TRP . 11.2 mt -77.09 -36.3 55.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.427 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.2 m-85 -116.12 150.7 36.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.13 114.46 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 85.3 t80 -110.42 168.96 9.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.513 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 20.3 tt0 -135.18 118.26 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.64 117.75 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.2 mtt-85 -65.15 -44.51 88.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 p -138.09 -176.15 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -57.98 -43.8 86.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.41 -34.03 73.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -73.74 143.68 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -95.01 124.65 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.422 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 60.0 p -83.23 113.49 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.629 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 45.6 p90 -130.76 161.18 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -129.83 166.48 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -62.56 117.94 6.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.34 15.71 31.78 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 6.9 tt0 -110.1 135.9 50.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.514 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 49.4 mtt180 -93.9 163.83 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 38.3 m-85 -160.01 136.54 8.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -81.77 113.54 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.7 mm -67.11 105.43 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.0 mt -80.77 -49.56 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -136.63 126.39 25.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -122.77 45.06 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 59' ' ' GLU . 7.4 t -81.42 -42.0 21.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.43 ' N ' HG21 ' A' ' 58' ' ' THR . 27.3 mt-10 -95.3 108.11 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.82 -46.22 54.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -44.27 -59.32 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 40.6 m95 -133.33 140.8 47.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.476 ' CH2' ' OG ' ' A' ' 78' ' ' SER . 44.5 m0 -114.22 144.78 42.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -91.88 118.42 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.26 164.15 28.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 19.1 ttp-105 -123.58 104.1 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -42.95 138.03 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.1 mt -97.32 -25.17 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.67 -48.73 30.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.085 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.2 p -100.58 -42.53 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.33 14.24 18.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -73.55 176.61 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.6 p -155.34 140.57 17.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 178.05 -145.34 6.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -127.42 117.36 22.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.528 HG23 ' CD1' ' A' ' 46' ' ' PHE . 37.5 pt -110.41 142.23 25.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.66 0.743 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.73 125.74 12.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.476 ' OG ' ' CH2' ' A' ' 63' ' ' TRP . 32.2 t -69.87 -4.94 22.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -88.48 -2.67 58.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 4.3 m-85 -119.3 -32.34 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -102.27 147.82 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.445 HG13 ' CD1' ' A' ' 33' ' ' LEU . 1.5 m -138.29 152.83 72.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.567 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.7 Cg_endo -69.79 134.82 28.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.42 -5.03 4.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.01 -41.64 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -108.38 23.44 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.5 103.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -77.34 -23.59 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -117.81 27.44 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.617 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.1 pt-20 -34.77 -31.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 4.5 mp0 -37.2 -33.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.678 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.1 p-90 -61.9 -46.63 88.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.678 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.93 -31.58 40.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.1 m-85 -61.19 -46.14 91.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -85.09 -38.48 9.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 95' ' ' GLY . 1.3 ttpm? -34.31 -54.63 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.7 ttp -95.18 139.74 31.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.64 149.27 7.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -97.44 80.29 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -167.33 159.85 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.6 110.05 20.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.41 41.2 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -95.47 91.04 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.5 t -161.75 168.8 22.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 94.22 146.22 19.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.442 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.47 21.15 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -45.81 -52.02 11.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.7 t -161.71 125.52 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -173.96 177.62 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -174.17 177.23 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.04 178.24 40.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -161.94 176.73 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 t -114.55 -63.72 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.89 159.62 35.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.42 120.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 p -166.53 177.52 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.7 m 62.16 50.99 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.7 p -148.66 155.78 41.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 13' ' ' SER . 21.0 t80 74.62 43.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' PHE . 29.0 m -38.22 146.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.44 HG21 ' N ' ' A' ' 15' ' ' VAL . 5.3 p -164.66 143.43 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.44 ' N ' HG21 ' A' ' 14' ' ' VAL . 35.9 m -36.48 116.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.4 t -166.04 177.86 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' SER . 14.5 t -36.4 -61.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -73.86 128.04 34.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -98.5 148.2 34.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.683 0.754 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.32 68.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 p -92.76 108.42 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.48 67.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -102.79 116.33 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 50.8 m -62.28 88.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.36 72.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.5 -58.04 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.18 141.34 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 m -111.31 137.18 49.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.2 mm -78.13 138.28 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.053 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.3 m-85 -140.63 143.88 35.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.49 146.3 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.92 115.34 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.559 HD23 ' CD1' ' A' ' 92' ' ' TRP . 9.5 mt -79.55 -36.94 37.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -115.04 152.51 32.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -81.05 128.46 33.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.9 t80 -124.69 168.86 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.519 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 2.0 tp10 -136.04 121.77 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.01 111.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 16.9 mtm105 -63.31 -42.07 99.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.0 p -138.88 -175.02 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -64.14 -33.3 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -71.29 -23.82 62.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -84.92 144.06 28.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -94.66 129.95 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.454 ' N ' HD22 ' A' ' 44' ' ' LEU . 77.9 p -86.84 114.19 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 36' ' ' TYR . 30.2 p90 -130.05 168.27 17.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -134.17 160.47 37.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -61.48 112.35 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.91 18.18 11.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.7 tt0 -113.5 140.41 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 57.5 mtt180 -96.28 161.32 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.558 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 32.7 m-85 -157.82 141.4 15.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -85.63 110.19 19.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.1 mm -64.25 106.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.6 mt -83.12 -48.15 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -136.01 130.53 33.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -123.62 42.16 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 59' ' ' GLU . 10.0 t -83.06 -44.27 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.45 ' N ' HG22 ' A' ' 58' ' ' THR . 14.8 mt-10 -84.43 100.02 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.79 -36.4 26.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.99 -55.56 31.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 35.8 m95 -132.87 135.69 45.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 49.9 m0 -108.47 144.17 36.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -90.39 121.97 32.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.76 160.37 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -121.53 106.07 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 m -45.13 142.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.4 mt -93.86 -32.37 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.26 -56.45 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.2 p -80.59 -24.64 38.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.98 13.02 83.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -71.64 175.65 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 p -157.0 141.44 16.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.423 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 170.88 -136.47 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -131.84 128.47 38.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.49 HG23 ' CD1' ' A' ' 46' ' ' PHE . 35.7 pt -120.7 142.77 34.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 111.101 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.72 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.2 p -64.67 -6.22 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -87.21 -2.16 58.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -119.26 -30.96 4.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.5 141.71 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -131.48 152.84 81.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.49 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.74 133.94 26.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.316 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -5.64 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -96.25 -41.67 8.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.63 23.72 14.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.7 103.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.04 -25.0 52.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -116.87 28.24 8.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.617 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.9 pt-20 -35.24 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ALA . 28.1 mt-10 -37.78 -33.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.683 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 28.4 p-90 -62.37 -46.52 88.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.683 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.02 -31.24 39.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.6 m-85 -61.32 -46.76 88.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.84 -43.67 7.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 92' ' ' TRP . 1.9 mmmp? -49.02 -72.39 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 43.8 ttm -73.93 147.71 42.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.5 142.32 15.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -167.18 115.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -42.02 -54.12 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -45.39 -43.87 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.57 -43.39 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -46.97 102.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.4 t -128.47 98.04 4.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.18 95.26 2.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.0 25.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.5 m -58.58 130.85 48.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.4 p -56.07 139.91 45.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -159.48 122.91 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.838 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 t -141.37 159.8 41.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.85 135.4 4.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t -127.92 149.85 50.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -120.1 105.86 11.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.75 -100.95 0.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.11 45.92 25.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 111.06 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 p -133.96 129.21 35.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.1 p -159.94 175.84 12.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.0 p -131.34 165.17 24.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -92.89 152.53 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.5 p -168.86 157.49 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG22 ' N ' ' A' ' 15' ' ' VAL . 14.2 p -61.6 144.2 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.457 ' N ' HG22 ' A' ' 14' ' ' VAL . 33.1 m -125.07 161.43 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -171.84 153.59 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.0 m -153.01 113.32 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -117.31 114.23 23.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -125.29 152.25 70.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.67 0.747 . . . . 0.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 161.57 45.4 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 p -93.78 -44.55 8.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.12 94.6 1.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mp -105.22 90.22 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.6 p -41.46 -55.28 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.08 -160.59 26.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.541 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.57 -44.95 3.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 28' ' ' THR . 66.1 t -95.98 141.47 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 111.086 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.46 ' N ' HG13 ' A' ' 27' ' ' VAL . 12.9 m -102.78 131.38 49.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.1 mm -71.53 134.05 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.4 m-85 -137.25 141.67 42.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 32' ' ' ALA . 3.2 t -118.43 144.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.428 ' N ' HG13 ' A' ' 31' ' ' VAL . . . -89.02 113.78 24.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.572 HD21 ' CD1' ' A' ' 92' ' ' TRP . 13.2 mt -78.76 -36.04 43.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.413 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.1 m-85 -117.38 145.73 43.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -71.79 135.97 46.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 80.3 t80 -136.23 154.74 50.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -122.81 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.27 106.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -51.18 -24.25 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 t -173.72 165.4 4.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.2 p -37.69 -46.81 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -48.36 -49.27 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -76.95 162.32 27.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -104.74 130.3 52.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.8 p -86.03 117.7 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 36' ' ' TYR . 40.3 p90 -135.58 154.08 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -116.86 166.87 11.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -65.06 112.66 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.68 26.04 7.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 1.7 tp10 -115.19 139.63 49.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 27.7 mtt180 -93.33 160.83 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 30.2 m-85 -160.62 137.41 8.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -84.37 113.31 21.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.5 mm -65.69 108.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.3 mt -82.34 -51.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.64 131.11 44.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -122.49 45.44 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 t -91.73 -41.2 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -88.57 99.21 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.33 -47.19 35.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -49.04 -54.37 16.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 25.9 m95 -136.69 138.13 40.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 47.6 m0 -109.34 144.66 37.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -91.37 117.44 29.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.46 169.17 17.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -128.48 105.47 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -45.85 141.91 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.3 mt -97.33 -27.11 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.33 -67.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -78.14 -44.23 26.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.89 31.35 5.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -93.21 176.46 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.6 p -154.0 142.3 20.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.465 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 177.03 -136.15 3.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.482 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.435 ' H ' ' N ' ' A' ' 44' ' ' LEU . 15.5 m-85 -132.52 123.68 27.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.48 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 35.9 pt -118.14 139.68 26.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.678 0.752 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.79 119.83 6.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 59.9 p -64.33 -8.22 12.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -83.36 -8.02 59.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.413 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.8 m-85 -113.76 -33.96 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 m -102.69 139.09 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 33' ' ' LEU . 1.5 m -128.09 152.84 78.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.551 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.4 Cg_endo -69.79 132.13 22.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.94 -7.35 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -94.92 -40.85 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -111.62 29.87 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.422 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -40.79 103.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -77.22 -19.94 55.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -119.95 26.08 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.621 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.26 -30.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 89' ' ' ALA . 53.6 mt-10 -37.67 -32.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.687 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.6 p-90 -62.8 -46.47 87.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.687 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.9 -31.27 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.56 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.7 m-85 -61.32 -49.03 78.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.99 -47.57 5.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' MET . 17.7 tptm -99.53 141.99 31.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 96' ' ' LYS . 40.8 mtp -36.41 147.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.31 -38.2 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -97.36 178.27 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -171.81 129.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -132.38 147.43 52.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.84 177.96 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -116.4 -67.33 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.1 t -147.84 178.9 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.82 -158.62 22.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.12 37.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -163.74 138.08 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.8 t -120.54 120.17 35.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 p 38.68 42.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -93.93 164.77 12.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 -122.19 2.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 p 46.95 42.36 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.878 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -61.96 -60.54 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.67 160.09 7.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.92 118.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.318 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -154.61 106.32 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -130.46 124.53 32.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 m -134.14 128.96 35.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -150.95 169.53 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.0 m -136.27 137.7 41.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -111.68 11.33 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 p -172.12 131.75 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t -159.88 158.19 30.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 t -154.98 156.47 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -117.31 97.89 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -116.5 150.89 46.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.47 63.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.363 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.3 p -116.12 159.45 21.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.26 52.67 50.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mp -80.78 -20.15 43.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.4 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.1 m -59.43 138.15 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.79 141.04 27.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.539 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.43 -52.58 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.34 136.41 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.935 0.398 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -122.24 136.29 54.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.0 mm -79.34 138.48 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.3 m-85 -141.76 143.14 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -117.89 147.27 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.84 115.61 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 92' ' ' TRP . 12.5 mt -80.66 -35.28 34.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.443 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.9 m-85 -114.15 151.8 32.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -84.92 128.12 34.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 78.9 t80 -130.61 168.59 16.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.546 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 35.8 tp10 -136.47 121.42 18.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB1' ' N ' ' A' ' 45' ' ' SER . . . -51.45 112.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -64.85 -46.92 79.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.6 p -128.28 162.26 27.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -48.21 -32.73 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.52 -32.85 73.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.08 159.55 30.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -111.79 126.23 54.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.458 ' N ' ' HB1' ' A' ' 38' ' ' ALA . 4.7 t -86.24 139.74 30.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 3.9 p90 -151.04 166.25 31.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -126.76 157.01 40.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -58.46 106.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.16 29.35 4.31 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 4.3 tp10 -117.59 147.71 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.522 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 9.6 mtt85 -101.45 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 16.2 m-85 -161.04 136.09 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -81.75 113.19 19.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.9 mm -65.88 106.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.9 mt -83.4 -46.47 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -140.22 125.28 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.445 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 19.5 p30 -126.27 45.01 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.449 HG21 ' N ' ' A' ' 59' ' ' GLU . 7.9 t -74.78 -46.2 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' N ' HG21 ' A' ' 58' ' ' THR . 0.9 OUTLIER -102.81 119.82 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.14 -41.01 94.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' CD1' ' A' ' 62' ' ' TRP . 2.7 m-20 -40.67 -51.35 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 48.7 m95 -148.36 133.25 18.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 46.6 m0 -109.08 141.64 40.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -87.63 114.83 24.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.63 157.23 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -120.43 104.06 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 1.2 t -42.71 138.3 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.7 mt -96.62 -31.08 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.07 -57.82 4.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 75.9 p -90.89 -44.06 9.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.67 17.33 9.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -70.73 167.75 18.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.9 p -156.71 135.55 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.475 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 175.21 -131.43 1.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.473 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 19.4 m-85 -132.33 126.5 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.957 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 31.3 pt -122.25 140.88 33.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.8 118.85 5.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 96.0 p -63.11 -10.03 13.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -82.48 -4.05 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.7 m-85 -117.32 -31.81 5.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.3 m -102.95 146.45 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 33' ' ' LEU . 1.4 m -138.09 153.13 73.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.76 134.0 26.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.75 -5.58 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -96.26 -41.74 8.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.62 24.98 12.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -35.59 103.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -77.12 -20.95 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.08 27.12 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.619 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.8 pt-20 -34.97 -31.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 20.0 mt-10 -37.16 -33.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.694 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.0 p-90 -62.08 -47.78 83.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.694 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -78.53 -31.03 47.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.564 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.3 m-85 -61.78 -44.42 96.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -85.72 -32.22 19.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' GLY . 31.3 tptt -33.22 134.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tpp -53.8 -48.45 69.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.96 -170.85 0.23 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -160.4 134.35 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -78.18 127.02 31.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -97.82 136.22 38.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.57 157.17 46.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -81.71 -56.08 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.5 t -173.21 125.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -160.29 146.05 12.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.21 9.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.4 m -125.02 165.97 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 97.6 p -170.15 134.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -75.93 143.84 41.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 p -152.14 161.19 43.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.08 119.45 0.83 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 p -84.55 175.29 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -172.46 126.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.84 -169.37 5.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.82 171.58 14.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.1 m -107.7 151.9 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.5 p -95.13 133.63 38.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -144.4 145.44 31.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -127.36 167.62 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.3 p -154.91 148.33 25.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.3 p -149.75 128.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.52 143.87 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 m -107.0 -47.0 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.0 p -138.63 133.55 32.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.9 m -44.68 161.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -114.41 144.16 31.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 154.47 67.79 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.369 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.9 p -98.15 16.83 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.2 72.14 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.15 -18.28 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.3 p -73.98 107.49 6.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.51 75.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.47 -43.62 1.44 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.464 HG11 ' N ' ' A' ' 28' ' ' THR . 44.0 t -114.17 143.75 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.935 0.398 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.464 ' N ' HG11 ' A' ' 27' ' ' VAL . 8.7 m -110.52 134.55 52.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.4 mm -76.5 139.16 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.4 m-85 -140.67 144.92 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 32' ' ' ALA . 3.7 t -121.96 146.9 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 31' ' ' VAL . . . -93.48 118.4 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 92' ' ' TRP . 5.6 mt -85.19 -32.62 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -114.93 154.19 29.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -83.76 119.81 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 91.1 t80 -120.43 160.2 23.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 19.1 tt0 -129.93 121.26 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -55.03 112.18 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -57.31 -21.21 33.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -171.84 163.57 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.6 m -38.18 -46.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -50.36 -43.1 54.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.6 154.52 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -97.18 127.58 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.429 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 2.5 p -85.79 111.95 20.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 36' ' ' TYR . 39.0 p90 -129.11 154.81 46.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -120.65 162.56 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -60.91 108.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.1 35.22 3.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 17.0 tt0 -128.02 135.63 50.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.908 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -92.74 155.68 17.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 35.8 m-85 -152.2 144.69 24.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -86.89 108.95 19.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.3 mm -64.49 104.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.1 mt -81.68 -47.17 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -135.03 124.11 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.401 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 25.4 p30 -117.57 38.9 3.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.7 t -85.06 -39.72 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 10.9 mt-10 -94.96 98.86 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.54 -55.18 14.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 17.2 p-10 -40.79 -48.14 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 41.1 m95 -144.35 131.44 20.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.48 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 38.0 m0 -108.79 149.54 28.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -93.66 110.67 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.13 153.07 48.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -117.7 108.29 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.4 t -42.11 135.73 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.4 mt -92.37 -24.98 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.04 -61.02 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.3 p -80.85 -51.47 8.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.53 10.71 12.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -70.94 171.91 9.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.0 p -154.47 144.0 21.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.454 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.4 -138.44 4.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.448 ' H ' ' N ' ' A' ' 44' ' ' LEU . 18.5 m-85 -132.45 127.22 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.52 HG21 ' CD1' ' A' ' 46' ' ' PHE . 32.2 pt -120.62 142.3 33.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.78 122.12 8.8 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.48 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 54.4 p -66.86 -4.02 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -89.04 -3.26 58.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -118.53 -32.49 4.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.2 m -102.11 147.64 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -138.87 152.67 70.86 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.643 0.735 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.77 133.28 25.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -6.91 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -95.2 -41.53 9.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -109.92 28.02 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.421 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -38.9 104.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -30.2 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -106.66 24.94 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.601 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -36.29 -28.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 89' ' ' ALA . 25.9 mt-10 -41.44 -32.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.686 ' CZ3' ' CB ' ' A' ' 93' ' ' TYR . 27.4 p-90 -61.82 -44.98 95.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.686 ' CB ' ' CZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.22 -32.09 38.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 9.2 m-85 -60.53 -48.23 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -84.15 -39.41 9.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 95' ' ' GLY . 12.6 ttmt -34.43 149.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.726 0.298 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 28.7 ttm -39.15 105.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 123.03 49.84 0.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -48.31 -58.09 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -85.29 109.11 18.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -101.68 127.68 48.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -173.12 170.13 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -76.5 177.07 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 t -157.8 169.66 24.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -55.17 158.03 7.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -36.08 11.51 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.74 2.293 . . . . 0.0 112.323 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 85.9 p -58.63 -50.42 73.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.6 m -61.07 153.65 24.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -174.93 172.99 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.378 . . . . 0.0 110.833 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -169.82 147.58 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.95 131.89 4.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -174.92 158.83 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -157.43 143.0 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.71 -99.03 0.15 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.49 44.19 27.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -158.11 117.15 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.4 m -92.23 113.87 26.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -143.01 145.57 33.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -42.7 -57.24 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -138.48 148.38 44.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.3 m -105.01 -39.86 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.167 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 t 44.87 40.96 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -135.57 116.03 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -129.59 169.34 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.6 t -48.2 135.34 13.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -53.73 145.74 29.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.669 0.747 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -179.17 2.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.1 p -123.78 177.5 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.38 52.19 46.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.3 mt -89.25 -21.01 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.929 0.395 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 50.5 m -107.23 86.67 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.58 -101.69 1.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.28 -46.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.45 138.93 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -107.32 131.0 54.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.7 mm -74.98 138.36 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.9 m-85 -139.9 145.39 37.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.99 146.89 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.8 114.37 26.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 92' ' ' TRP . 13.4 mt -79.47 -35.87 39.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -115.19 156.23 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 124.53 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 88.2 t80 -125.23 168.79 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 27.7 tt0 -138.09 120.54 16.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' HB1' ' N ' ' A' ' 45' ' ' SER . . . -51.59 110.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -60.09 -47.52 85.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.4 p -125.54 163.03 23.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -51.57 -23.22 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -76.85 -31.59 56.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.86 150.22 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -94.95 127.68 41.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.421 ' N ' ' HB1' ' A' ' 38' ' ' ALA . 6.2 m -87.74 118.27 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 36' ' ' TYR . 20.9 p90 -132.79 165.25 25.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -131.02 157.9 41.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -58.74 113.53 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.93 25.08 7.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 31.8 tt0 -119.56 139.28 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -94.05 158.58 15.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 36.0 m-85 -156.16 135.63 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -82.42 113.64 20.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.469 HG23 ' ND2' ' A' ' 57' ' ' ASN . 19.4 mm -64.82 112.24 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.0 mt -87.74 -49.48 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -137.98 123.26 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.542 ' OD1' ' CG ' ' A' ' 63' ' ' TRP . 8.6 m-20 -120.5 45.22 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.8 t -89.08 -41.04 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 58' ' ' THR . 17.5 mt-10 -91.75 97.11 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -43.93 -49.2 7.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -38.77 -59.97 0.89 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.748 0.309 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 36.4 m95 -138.63 138.65 38.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CG ' ' OD1' ' A' ' 57' ' ' ASN . 46.1 m0 -105.69 144.06 32.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.34 111.35 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.66 163.76 23.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -125.77 106.71 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t -42.34 141.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mt -96.18 -31.52 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.163 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.32 -60.96 2.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.5 p -79.55 -45.37 19.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.09 14.42 24.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -73.68 175.01 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.406 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 42.6 p -155.42 144.01 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.469 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 172.31 -140.12 5.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.47 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 22.0 m-85 -128.22 123.54 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.503 HG22 ' CD1' ' A' ' 46' ' ' PHE . 31.9 pt -118.37 140.97 28.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.77 123.61 10.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.2 p -66.95 -16.72 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -76.8 -2.28 32.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -119.29 -31.82 4.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.6 m -102.13 148.54 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.9 152.93 66.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.569 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.76 134.06 27.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.04 -4.92 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -96.91 -39.49 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -111.45 26.92 10.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.43 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -38.56 103.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -78.08 -21.1 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -117.88 25.66 10.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.622 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.92 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 89' ' ' ALA . 52.3 mt-10 -40.03 -32.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.675 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.4 p-90 -61.16 -43.85 98.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.675 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.57 -32.44 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.919 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.622 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.2 m-85 -60.02 -45.47 92.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -98.14 -49.57 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.445 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -94.42 117.91 30.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.941 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.4 mtm -44.05 -48.38 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.99 -95.95 2.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -124.3 -59.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.382 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -162.78 154.66 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.57 173.73 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.64 106.77 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -138.6 111.53 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 t -76.76 -59.76 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 139.97 -94.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.39 3.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.384 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.1 p -150.82 127.48 10.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.5 m -84.32 41.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -139.97 126.99 20.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.832 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p -165.67 164.71 19.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.92 151.63 6.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -146.32 177.42 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -154.73 127.86 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.58 159.8 32.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.31 107.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -76.29 94.89 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.6 p -146.11 148.48 32.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.3 m -128.5 -176.57 3.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' CD2' ' N ' ' A' ' 13' ' ' SER . 40.1 p90 -88.87 -55.77 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.457 ' N ' ' CD2' ' A' ' 12' ' ' PHE . 31.2 t -174.88 123.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -114.42 115.52 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.5 t -128.69 -69.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.0 t -102.33 -70.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m 62.45 39.2 12.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -124.06 123.59 40.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -96.09 144.32 27.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.693 0.758 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -165.16 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.735 2.29 . . . . 0.0 112.336 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.6 p -143.75 146.64 33.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . 117.19 -46.5 1.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -32.92 148.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.0 110.892 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -148.6 -176.82 5.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.35 153.39 6.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.46 33.21 2.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.557 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 28' ' ' THR . 81.0 t -122.28 141.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.43 ' N ' HG11 ' A' ' 27' ' ' VAL . 17.3 m -109.79 137.28 47.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.2 mm -79.34 140.72 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.499 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 16.5 m-85 -141.67 144.56 34.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.54 146.8 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.94 113.81 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 92' ' ' TRP . 12.0 mt -79.56 -35.4 39.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -116.46 143.85 45.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -73.98 130.56 40.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 75.0 t80 -128.35 168.57 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.549 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 7.8 tt0 -136.1 119.98 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.56 108.36 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -63.18 -47.77 81.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.8 p -127.34 158.2 37.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -45.97 -29.26 1.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.73 -37.05 76.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -74.64 145.78 42.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.464 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -91.27 130.43 37.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.423 ' N ' HD22 ' A' ' 44' ' ' LEU . 60.3 p -86.8 113.67 22.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.671 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 26.0 p90 -129.57 165.73 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -132.3 161.7 32.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -61.62 112.29 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.73 15.32 20.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.515 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 18.1 tt0 -109.49 135.8 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 52.0 mtt180 -88.02 161.44 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.671 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 55.8 m-85 -158.92 136.01 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -83.98 113.06 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.07 111.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.5 mt -88.51 -51.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -131.61 125.6 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -119.99 39.47 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.4 t -85.64 -42.62 14.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -83.29 97.8 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.51 -35.01 21.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.52 -53.79 51.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 38.4 m95 -135.85 138.21 42.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.489 ' CD2' ' HB3' ' A' ' 78' ' ' SER . 53.7 m0 -109.58 135.53 50.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -82.48 118.06 22.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.87 158.55 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.1 ttm-85 -119.51 109.47 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.39 138.48 13.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 mt -93.22 -43.8 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.85 -62.19 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -80.35 -50.59 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.22 16.29 10.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -76.82 176.66 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 p -153.94 139.26 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.402 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.83 -140.51 4.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -130.12 128.11 41.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.559 HG21 ' CD1' ' A' ' 46' ' ' PHE . 37.4 pt -121.88 139.68 30.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.81 116.14 4.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.489 ' HB3' ' CD2' ' A' ' 63' ' ' TRP . 76.1 p -57.03 -27.07 61.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -65.13 -5.97 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.48 -33.34 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.432 ' CG1' HD13 ' A' ' 76' ' ' ILE . 28.6 m -102.35 141.28 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 33' ' ' LEU . 1.4 m -133.59 152.9 79.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.717 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.499 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.5 Cg_endo -69.79 135.38 30.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -4.43 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -39.82 8.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -110.71 24.15 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -34.22 103.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -77.05 -17.79 58.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -122.45 26.23 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.615 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -34.97 -31.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 89' ' ' ALA . 22.9 mt-10 -37.41 -34.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.674 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 26.8 p-90 -60.94 -45.9 92.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.674 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.13 -31.36 34.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.565 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 7.0 m-85 -61.73 -41.33 97.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.62 -51.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -89.49 84.93 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.1 mtm -56.89 152.39 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.81 53.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -133.21 106.9 7.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -109.67 159.44 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -162.46 159.33 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -166.95 110.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -152.43 144.52 23.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.8 p -129.32 154.48 46.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 140.82 84.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 145.62 57.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 65.5 m -161.92 160.77 28.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.5 m -125.98 94.9 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -76.04 130.81 38.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -137.13 151.44 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.92 153.0 9.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -163.75 116.26 1.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.836 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 p -119.84 161.32 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.03 74.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.61 170.52 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.1 p -61.46 161.92 8.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.9 p -108.44 158.78 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -92.4 156.19 17.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -155.58 114.89 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 t -136.29 106.8 6.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -61.35 132.9 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.2 t -143.09 132.84 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.8 m -68.95 113.47 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -114.66 89.49 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.2 p -65.37 141.91 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -56.95 151.54 32.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.681 0.753 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 139.65 40.84 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 p -110.82 160.12 17.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.37 57.32 17.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.49 95.95 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 50.1 p -154.49 116.28 4.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.13 -137.93 6.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.53 46.89 1.05 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -118.19 139.07 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -110.19 133.0 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mm -73.76 137.0 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.3 m-85 -138.57 142.45 39.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.4 144.06 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.89 115.42 27.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' CD1' HG11 ' A' ' 82' ' ' VAL . 17.3 mt -80.89 -34.71 33.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.55 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 2.0 m-85 -117.76 139.88 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 130.43 40.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.569 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 79.7 t80 -129.79 168.7 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 13.4 tm-20 -136.35 119.97 17.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.402 ' CB ' ' OG ' ' A' ' 45' ' ' SER . . . -51.81 106.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -59.95 -47.72 84.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p -127.6 154.6 45.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -44.44 -23.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.47 -40.18 70.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -74.52 159.07 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -102.05 131.18 48.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.454 ' N ' HD23 ' A' ' 44' ' ' LEU . 54.1 m -84.53 118.01 24.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 39.2 p90 -137.06 162.18 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -130.77 168.84 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -64.89 117.12 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.47 23.63 12.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 17.6 tt0 -117.12 136.86 52.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 37.7 mtt-85 -93.38 163.34 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 34.7 m-85 -160.36 137.45 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -82.44 112.43 19.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.15 107.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.5 mt -82.78 -52.26 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -130.65 129.65 42.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -122.98 43.54 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.8 t -84.84 -44.99 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -88.47 103.63 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.28 -37.79 55.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -51.89 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.546 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 40.6 m95 -139.36 136.19 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.527 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.7 m0 -110.09 144.91 37.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -91.2 116.18 28.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.92 161.62 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -123.27 103.34 8.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.7 m -40.38 141.61 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mt -93.39 -48.9 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 p -76.96 -58.09 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.37 12.26 9.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -71.1 175.93 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.5 p -156.42 140.56 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.457 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 176.03 -138.89 4.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -128.68 128.79 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.503 HG22 ' CD1' ' A' ' 46' ' ' PHE . 34.8 pt -122.91 141.43 35.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.546 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.77 121.25 7.94 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 83.3 p -66.74 -4.1 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -88.41 -5.9 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.55 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.8 m-85 -114.79 -34.95 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.4 m -102.17 138.58 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.421 HG11 ' CD1' ' A' ' 33' ' ' LEU . 1.4 m -128.64 152.94 79.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.612 0.72 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.545 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.79 132.58 23.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.316 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.77 -7.34 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -94.44 -41.92 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -109.33 29.16 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.419 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -41.17 103.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -77.54 -16.57 58.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -122.9 25.29 8.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.608 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.2 pt-20 -35.2 -30.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 89' ' ' ALA . 3.1 mp0 -38.55 -35.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.695 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.9 p-90 -59.64 -45.07 93.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.695 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.6 -32.67 36.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.553 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.8 m-85 -59.46 -44.28 93.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.7 -50.8 1.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' TRP . 21.8 tptm -94.76 94.87 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.729 0.3 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.6 ptm -159.87 174.37 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.77 -121.01 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -68.63 104.68 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -60.97 126.97 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -171.78 114.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -153.45 114.78 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -71.08 120.22 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.3 p -101.18 149.9 23.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.14 153.35 21.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.484 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 98.83 0.71 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -144.52 172.28 13.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.0 t -72.99 112.14 8.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -157.46 150.44 23.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -157.76 135.27 10.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.43 172.26 22.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -150.4 152.24 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -48.22 129.69 15.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.59 -168.06 38.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.03 82.13 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -89.55 119.79 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 p -101.57 42.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.4 p -166.08 167.39 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -113.56 -52.61 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -124.41 41.77 3.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.7 t 65.03 50.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.169 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.424 HG23 ' CZ ' ' A' ' 66' ' ' ARG . 12.1 p -159.97 137.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.1 p -53.11 148.39 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.2 p -70.64 -43.02 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.4 p -39.4 136.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -45.44 147.3 1.45 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.648 0.737 . . . . 0.0 110.96 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 169.62 18.48 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 p -108.94 162.09 14.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.96 53.21 5.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mp -83.93 -21.38 31.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.875 0.369 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.3 m -143.61 125.67 15.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.4 110.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.531 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.96 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -105.72 149.42 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.924 0.392 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 m -120.2 134.55 55.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.2 mm -76.5 141.03 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.536 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 14.4 m-85 -142.45 144.19 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.27 144.26 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.89 114.01 23.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.572 HD23 ' CD1' ' A' ' 92' ' ' TRP . 20.6 mt -77.56 -37.01 51.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.501 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.7 m-85 -118.63 144.31 46.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -72.29 135.21 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 59.4 t80 -136.18 158.26 44.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 2.1 tp10 -123.99 120.42 32.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -53.04 110.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -54.6 -28.65 47.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.9 168.52 19.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -44.81 -38.37 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.3 -40.92 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -81.46 156.4 25.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -100.16 126.7 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.455 ' N ' HD23 ' A' ' 44' ' ' LEU . 18.6 p -84.72 115.41 22.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 36' ' ' TYR . 33.6 p90 -131.01 166.54 20.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.829 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -132.98 165.58 24.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -64.14 113.6 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.69 24.66 8.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 16.0 tt0 -118.89 136.87 53.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 74.5 mtt180 -93.42 163.36 13.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 30.8 m-85 -159.78 142.9 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -86.3 108.73 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.1 mm -64.6 108.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.3 mt -83.81 -50.92 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -129.69 123.21 30.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -119.78 34.82 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.1 t -83.89 -45.23 13.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.435 ' N ' HG23 ' A' ' 58' ' ' THR . 13.8 mt-10 -81.66 97.43 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -48.29 -43.72 26.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -50.38 -60.88 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.493 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 64.2 m95 -128.88 138.11 51.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.418 ' CD2' ' HB3' ' A' ' 78' ' ' SER . 44.8 m0 -110.52 136.09 50.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.04 123.76 33.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.11 159.5 42.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.424 ' CZ ' HG23 ' A' ' 15' ' ' VAL . 23.8 ttm180 -121.86 106.3 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.91 143.62 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.1 mt -96.68 -36.32 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.37 -57.45 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.6 p -78.98 -38.41 36.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.5 20.23 35.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -82.8 171.33 14.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 p -156.85 131.23 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.462 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . -176.89 -132.83 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -132.58 120.91 22.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 47.3 pt -114.99 141.41 26.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.493 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.75 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.418 ' HB3' ' CD2' ' A' ' 63' ' ' TRP . 94.2 p -60.87 -9.5 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -82.8 -4.18 57.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.501 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.9 m-85 -118.7 -30.27 5.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.46 ' CG1' HD13 ' A' ' 76' ' ' ILE . 35.1 m -102.34 145.77 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 33' ' ' LEU . 1.4 m -139.27 152.9 70.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.639 0.733 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.536 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.85 133.56 25.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -5.52 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -95.9 -41.77 8.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -107.96 23.25 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.7 OUTLIER -33.7 103.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.73 -23.0 49.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -118.59 27.76 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.612 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.5 pt-20 -35.49 -29.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' ALA . 25.8 mt-10 -39.22 -32.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.658 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.0 p-90 -62.39 -44.41 96.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.658 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -82.38 -31.37 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.56 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.0 m-85 -61.03 -48.12 83.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.16 -43.21 3.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.75 97.46 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' A' ' 97' ' ' MET . 2.2 tmm? -71.55 -54.58 10.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.13 64.74 0.74 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -39.8 136.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -146.95 147.56 30.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.22 151.55 40.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -140.07 161.52 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -121.1 -60.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 72.8 m 61.26 53.7 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.15 146.22 17.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 123.84 10.49 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.317 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.6 p -119.6 -46.26 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.2 m -43.44 -47.51 7.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.464 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -158.68 133.47 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.825 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -152.09 158.46 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.03 165.53 37.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -146.76 173.88 11.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -156.71 169.6 24.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.72 175.6 13.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.64 175.66 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.6 p -110.11 -59.61 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 t -172.69 117.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -143.21 163.42 32.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -117.96 -46.52 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -135.44 153.55 51.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.43 -58.94 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.2 t -103.96 121.27 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -80.95 -54.16 5.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.1 p -123.31 118.13 26.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -53.53 126.23 20.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.508 ' C ' ' CD1' ' A' ' 19' ' ' TYR . 2.8 p90 -119.62 143.92 35.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 110.935 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 137.87 36.59 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -76.34 47.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -156.29 75.43 0.22 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.567 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -109.92 104.13 13.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 m -98.89 -45.95 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.8 106.27 3.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.69 -58.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.2 t -97.26 147.07 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 111.106 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -97.48 129.99 44.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mm -77.47 141.75 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.46 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 18.9 m-85 -142.61 143.73 32.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.44 148.68 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.73 111.45 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.571 HD21 ' CD1' ' A' ' 92' ' ' TRP . 12.9 mt -76.54 -35.9 57.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -115.04 150.81 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.85 131.26 35.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.7 t80 -129.13 168.64 15.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.516 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 25.8 tp10 -136.37 119.95 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.91 110.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -65.42 -47.56 75.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 p -129.44 163.5 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 t -52.65 -23.08 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -77.12 -27.41 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.69 150.66 24.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -97.32 128.5 44.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.46 ' N ' HD22 ' A' ' 44' ' ' LEU . 1.3 t -85.55 137.11 33.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 36' ' ' TYR . 19.5 p90 -153.78 168.72 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -132.99 170.91 14.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -68.84 105.38 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.22 32.07 2.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.49 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 21.1 tt0 -126.03 137.35 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.506 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 65.6 mtt180 -90.68 163.59 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 47.5 m-85 -160.13 133.81 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -81.61 114.11 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.7 mm -66.87 109.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.6 mt -85.1 -48.43 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -137.06 128.62 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -121.6 41.96 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 59' ' ' GLU . 10.1 t -83.96 -44.58 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' N ' HG22 ' A' ' 58' ' ' THR . 22.4 mt-10 -82.83 98.62 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.32 -37.69 25.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.16 -54.35 47.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.563 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 35.8 m95 -133.88 140.15 46.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 78' ' ' SER . 53.7 m0 -110.95 143.01 42.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -91.48 118.26 30.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.15 159.88 40.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -117.68 109.26 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.9 p -50.56 132.96 25.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.1 mt -89.37 -30.02 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.162 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.42 -53.77 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.8 p -92.39 -54.52 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.1 5.88 11.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -70.81 176.74 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.5 p -156.06 139.85 16.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . -178.03 -135.05 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.441 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -132.48 124.4 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.535 HG23 ' CD1' ' A' ' 46' ' ' PHE . 38.7 pt -121.18 138.08 27.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.563 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.72 115.19 3.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.327 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.566 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 17.4 t -52.38 -41.77 63.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -49.41 -17.8 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -102.96 -36.66 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 76' ' ' ILE . 35.7 m -102.0 137.03 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.458 HG11 ' CD1' ' A' ' 33' ' ' LEU . 1.5 m -128.37 153.07 79.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.79 133.78 26.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.286 . . . . 0.0 112.315 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.69 -5.56 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -96.18 -41.65 8.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -108.5 25.06 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.424 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.93 103.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.179 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -78.62 -25.95 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -113.82 26.08 10.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.632 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.65 -28.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 89' ' ' ALA . 43.6 mt-10 -38.87 -31.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.697 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 35.2 p-90 -62.07 -47.37 84.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.697 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -77.48 -31.91 53.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.632 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.9 m-85 -60.63 -46.79 88.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -80.48 -38.36 17.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' GLY . 7.9 tmtt? -33.65 -61.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.318 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 15.3 ttp -46.94 154.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -41.31 -46.33 4.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -51.05 102.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -66.24 121.32 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -104.65 -46.38 4.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.23 157.36 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.85 161.09 14.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t -117.3 123.48 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -48.74 175.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 93.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t -170.03 166.0 9.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.7 p -121.89 152.01 40.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -164.33 150.33 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -58.87 130.68 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -125.73 150.89 17.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' GLY . 24.4 m -37.31 150.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.898 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -80.19 -52.52 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.21 99.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.21 93.53 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.6 p -127.84 127.01 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 t -123.64 148.76 46.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.1 p -116.11 -46.66 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -112.69 175.05 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -172.67 125.12 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.9 m -84.89 160.18 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 16' ' ' SER . 89.0 t -113.16 141.42 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.44 ' N ' HG13 ' A' ' 15' ' ' VAL . 68.1 m -114.95 127.24 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -56.59 178.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.7 t -81.92 52.12 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -125.58 150.64 68.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.742 . . . . 0.0 110.94 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 140.95 43.84 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.9 p -105.64 135.36 47.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.8 57.51 6.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.78 -19.64 61.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -63.94 156.56 27.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.14 -84.46 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.98 124.06 0.84 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t -101.13 144.01 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.0 m -112.53 134.22 54.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.24 136.81 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.2 m-85 -138.24 142.86 39.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 32' ' ' ALA . 3.8 t -118.57 146.85 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' N ' HG12 ' A' ' 31' ' ' VAL . . . -91.83 114.11 26.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.567 HD22 ' CD1' ' A' ' 92' ' ' TRP . 8.7 mt -80.63 -34.37 35.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -116.55 147.96 41.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -77.39 124.46 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.9 t80 -126.76 163.92 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 35.7 tt0 -135.34 121.71 20.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HB3' ' N ' ' A' ' 45' ' ' SER . . . -52.57 106.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -60.33 -46.25 90.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.9 p -127.71 154.94 44.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.9 m -44.23 -26.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.75 -39.1 76.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -76.47 153.99 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -98.29 131.73 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.445 ' N ' ' HB3' ' A' ' 38' ' ' ALA . 44.3 m -85.21 116.05 23.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.672 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 34.6 p90 -134.08 158.17 44.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -124.86 160.93 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -59.71 113.93 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.2 22.76 9.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.478 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 16.9 tt0 -116.52 135.96 53.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -90.25 159.41 16.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.672 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 55.4 m-85 -156.27 135.04 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -81.64 112.23 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.6 mm -65.91 108.85 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.3 mt -83.99 -56.28 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -126.33 127.13 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -119.2 41.12 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 t -83.99 -43.28 15.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -89.52 101.88 14.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.03 50.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.2 -49.75 76.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.536 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 44.6 m95 -139.9 132.99 29.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.507 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.6 m0 -107.4 142.41 37.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -90.95 115.67 28.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.06 165.12 23.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -124.13 106.92 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -42.96 139.77 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.6 mt -94.68 -24.39 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.1 -59.91 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -81.75 -36.54 28.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.81 12.51 55.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -72.63 173.59 8.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.7 p -154.63 139.9 17.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.457 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 178.9 -134.83 2.42 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.415 ' H ' ' N ' ' A' ' 44' ' ' LEU . 20.7 m-85 -132.41 123.28 26.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.915 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.561 HG23 ' CD1' ' A' ' 46' ' ' PHE . 25.7 pt -116.48 140.14 26.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.536 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.0 Cg_endo -69.81 122.16 8.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 54.1 p -68.04 -2.77 8.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -91.07 -2.21 57.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.88 -34.79 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.2 m -102.07 140.84 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.179 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.35 153.07 81.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.54 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.82 134.1 27.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.47 -5.81 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -96.22 -41.74 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.08 23.97 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.2 103.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.78 -22.68 49.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -118.5 27.33 9.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.623 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.24 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 15.5 mt-10 -37.6 -32.24 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.668 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.0 p-90 -62.82 -46.16 89.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.668 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.61 -30.88 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.847 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.8 m-85 -61.69 -46.97 87.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -84.92 -40.92 7.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 95' ' ' GLY . 39.2 tttp -34.47 -58.35 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.7 tpt -64.59 131.34 46.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -49.87 114.53 2.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 100' ' ' LYS . 6.7 ttm180 -127.78 159.86 33.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ARG . 34.3 mmtm -34.4 -45.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.99 90.72 3.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -124.29 92.64 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -63.55 94.94 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 95.1 p -59.62 139.11 57.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -122.3 146.63 16.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.11 39.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.382 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -161.46 162.34 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.6 p -170.84 144.36 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 1' ' ' GLY . 59.9 m 35.05 51.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -107.73 169.58 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.2 156.18 8.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -173.58 160.05 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.811 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -135.48 178.7 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.15 146.22 2.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.96 132.34 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.3 t -155.82 121.61 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -100.85 92.84 5.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 m -149.36 108.02 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -157.69 138.16 12.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.3 m -159.06 120.5 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -126.32 126.9 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.03 -45.86 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.7 p -166.81 155.49 10.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -98.35 89.99 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.6 p -123.42 87.66 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.558 ' CG ' ' HD2' ' A' ' 20' ' ' PRO . 22.8 t80 -38.09 140.32 0.58 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.7 0.762 . . . . 0.0 110.926 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.558 ' HD2' ' CG ' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.74 161.64 45.14 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.6 p -128.05 -26.23 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.3 48.1 3.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 mt -60.61 -21.25 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.916 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.0 m -157.12 129.18 7.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.41 -124.23 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.69 -39.44 5.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.71 139.02 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -124.43 129.96 51.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.405 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 12.8 mm -76.9 145.35 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.6 m-85 -144.49 141.8 29.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -118.59 147.17 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.05 115.08 27.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.564 HD21 ' CD1' ' A' ' 92' ' ' TRP . 6.3 mt -81.48 -31.72 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -118.12 145.7 44.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.16 128.11 33.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 83.2 t80 -126.46 168.21 14.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 8.5 tt0 -135.02 118.92 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 110.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -64.27 -46.61 82.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 p -128.71 155.03 45.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -43.76 -29.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -67.99 -38.75 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -74.6 148.68 40.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' N ' ' H ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -93.03 130.25 38.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 p -87.41 113.17 22.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.651 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 17.8 p90 -126.43 163.98 22.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -125.91 165.19 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -66.12 108.09 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.95 21.99 8.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 tp10 -112.45 142.3 45.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 22.3 mtt85 -94.98 160.01 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 39.8 m-85 -157.71 135.4 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -81.91 111.76 18.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.45 HG13 ' CD1' ' A' ' 30' ' ' PHE . 43.9 mm -66.61 106.04 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.4 mt -82.48 -50.64 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -135.15 125.27 26.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.54 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 42.3 p30 -125.27 41.68 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.0 t -68.96 -45.2 71.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 9.7 pt-20 -107.57 122.23 46.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.9 -41.71 96.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -38.87 -52.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.336 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 58.1 m95 -147.18 133.38 19.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.9 m0 -111.34 141.0 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -87.68 115.54 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.28 159.37 39.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -120.1 105.95 11.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 m -43.74 139.63 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mt -94.75 -23.51 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.26 -63.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -80.34 -35.15 35.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.22 15.78 46.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -75.41 173.61 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.4 p -155.53 138.45 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.6 -133.12 1.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' H ' ' N ' ' A' ' 44' ' ' LEU . 21.6 m-85 -132.53 127.15 34.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.911 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.482 HG22 ' CD1' ' A' ' 46' ' ' PHE . 26.6 pt -121.81 140.21 31.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.3 Cg_endo -69.75 122.14 8.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.306 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 59.7 p -66.89 -4.45 9.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -88.67 -3.06 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.74 -34.06 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 m -102.3 146.59 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.36 153.17 72.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.549 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.0 Cg_endo -69.79 133.86 26.53 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -5.18 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.82 -41.74 8.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.2 23.56 14.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.9 OUTLIER -33.62 103.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -78.04 -28.44 49.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -110.58 25.68 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.648 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.81 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 89' ' ' ALA . 49.6 mt-10 -39.15 -30.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.67 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 33.6 p-90 -62.33 -45.19 94.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.67 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.23 -32.19 38.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 11.2 m-85 -60.03 -53.05 62.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.75 -38.89 10.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -94.17 111.86 23.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.9 mtp -43.27 120.93 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.6 -54.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.543 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -174.15 140.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.14 134.8 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' ALA . 9.2 p-10 -142.79 106.49 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' ASP . . . -37.74 112.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -158.63 118.42 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.8 t -74.58 96.62 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -93.17 145.67 17.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -34.55 14.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.264 . . . . 0.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.9 p -71.82 133.06 45.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -114.63 84.23 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -145.35 150.34 36.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -78.19 -47.9 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.31 130.73 1.61 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -153.12 137.56 16.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 m -148.07 163.1 37.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.46 -152.72 22.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.01 177.2 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -106.09 -44.45 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.8 p -149.52 134.23 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' PHE . 86.6 p -114.01 110.1 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.825 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' SER . 4.7 t80 -35.42 134.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.4 p -128.86 150.99 50.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -124.68 132.37 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.47 88.91 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.188 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 m -140.27 141.4 35.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t 40.1 46.35 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -62.15 136.08 57.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -88.88 151.51 47.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.725 0.774 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 153.82 68.63 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.3 p -78.13 -176.97 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.83 43.17 96.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.44 118.23 18.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.8 p -128.24 104.33 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.28 -125.17 0.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.538 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.68 -42.9 12.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.46 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.2 t -96.35 137.73 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 111.168 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.2 m -110.18 136.3 49.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 mm -76.24 135.99 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.4 m-85 -138.57 143.95 39.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -118.73 147.45 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.74 111.45 22.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.562 HD21 ' CD1' ' A' ' 92' ' ' TRP . 9.8 mt -76.6 -33.75 58.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -118.32 154.76 31.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -85.82 123.35 31.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 81.9 t80 -122.52 168.17 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 12.5 tt0 -135.14 121.71 20.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.452 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.59 112.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -67.28 -46.97 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' ASP . 31.0 p -130.64 158.02 41.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.6 m -44.12 -32.51 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.188 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.15 -36.79 77.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' THR . 3.9 m-20 -74.22 147.44 42.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.464 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -99.05 125.67 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.452 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 36.5 t -84.69 143.48 29.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 6.2 p90 -154.72 166.7 32.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -126.85 160.08 32.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -60.7 113.08 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.97 28.77 6.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 tp10 -118.54 146.29 44.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.59 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 18.6 mtt85 -100.53 162.2 13.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 51' ' ' ARG . 19.0 m-85 -160.7 134.99 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -81.49 114.51 20.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.9 mm -67.85 106.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.0 mt -81.71 -49.61 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -129.49 133.25 47.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -127.7 36.5 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -84.34 -35.21 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -94.53 96.66 9.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -48.76 -40.5 25.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.507 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -54.65 -54.36 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.524 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 46.6 m95 -135.96 134.3 38.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 48.1 m0 -105.83 143.64 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -91.77 113.19 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.44 160.27 34.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -119.32 107.02 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -46.08 134.42 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.9 mt -90.98 -37.97 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.61 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.5 p -89.6 -56.74 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.62 21.05 2.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -76.18 175.08 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.0 p -156.23 142.8 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 174.97 -138.01 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.444 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 17.9 m-85 -131.33 113.97 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 22.5 pt -106.31 141.09 22.03 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.732 . . . . 0.0 111.156 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.524 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 120.52 7.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 66.8 p -66.55 -5.66 12.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -87.93 -2.08 58.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.73 -33.6 4.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.9 m -102.22 141.65 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.33 153.0 81.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.84 133.42 25.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.316 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.57 -6.53 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -95.63 -41.75 8.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.52 25.57 11.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -35.24 103.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -77.06 -21.93 53.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -119.48 27.49 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.616 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.5 pt-20 -34.82 -31.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ALA . 44.3 mt-10 -37.15 -33.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.69 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.3 p-90 -62.63 -48.01 81.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.69 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -78.4 -31.11 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 7.4 m-85 -61.83 -45.15 95.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -82.7 -36.97 14.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' GLY . 4.9 tptm -33.43 -69.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 36.9 ttm -95.17 155.03 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.37 -118.8 6.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -124.46 169.0 12.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.86 166.11 32.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.54 -60.86 2.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -168.53 145.23 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -138.58 149.26 45.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.3 p -122.39 138.94 54.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.27 125.85 1.39 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -48.54 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.353 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.5 m -69.45 108.06 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.4 m -62.02 -43.78 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -109.12 165.68 11.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -147.17 161.21 41.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.04 41.25 1.56 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -148.53 143.81 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.351 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -146.93 145.62 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.9 141.55 6.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.06 166.12 10.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.0 t -92.47 -53.19 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.0 p -104.44 102.54 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -73.09 154.28 40.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -114.95 136.51 53.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.0 m -69.28 -69.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -129.03 132.75 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.5 m -130.53 37.78 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.3 m -96.19 119.41 34.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -170.73 175.95 4.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.0 p -165.95 118.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -120.95 151.65 55.25 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -172.49 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.7 p -123.12 -178.03 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.43 58.77 3.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.7 mt -90.21 -21.1 22.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.9 m -142.85 148.88 37.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.5 64.51 0.27 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.529 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.35 -56.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.1 t -102.1 148.96 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -107.34 127.04 53.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.1 mm -70.93 132.96 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.2 m-85 -135.56 143.48 45.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.0 t -117.74 147.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.87 110.15 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.058 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 92' ' ' TRP . 10.0 mt -78.0 -33.8 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.487 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.3 m-85 -116.9 149.7 39.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.67 125.42 30.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.9 t80 -123.2 169.04 11.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.508 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 28.6 tt0 -137.7 118.38 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.62 106.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -64.83 -45.09 87.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 p -132.25 151.34 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -41.74 -27.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -66.07 -43.22 88.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -77.61 153.35 33.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -94.93 132.62 39.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.46 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.3 p -86.87 115.65 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.645 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 22.4 p90 -131.01 173.09 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -138.94 163.36 32.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -61.63 116.72 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.19 28.1 8.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 19.0 tt0 -123.05 133.07 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 46.0 mtt180 -86.57 164.49 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.645 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 64.1 m-85 -160.22 135.44 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.55 114.02 20.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.09 110.48 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.2 mt -84.71 -52.73 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -131.7 129.5 40.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -120.57 42.72 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 59' ' ' GLU . 12.3 t -87.82 -33.87 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.467 ' N ' HG22 ' A' ' 58' ' ' THR . 13.2 mt-10 -98.7 98.55 9.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.15 -44.13 42.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -51.44 -51.28 56.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.49 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 46.0 m95 -139.97 131.33 26.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.478 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.4 m0 -104.72 142.64 34.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -89.15 113.7 24.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.53 166.25 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -127.01 103.33 7.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.48 143.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.0 mt -93.43 -62.1 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.7 -64.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.1 p -76.78 -57.83 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.55 15.21 7.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -70.79 175.53 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.1 p -154.73 143.32 20.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.464 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.89 -140.93 5.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.453 ' H ' ' N ' ' A' ' 44' ' ' LEU . 23.4 m-85 -128.52 121.0 27.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.945 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.483 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 30.4 pt -112.24 140.35 23.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.532 ' HD2' ' CZ ' ' A' ' 46' ' ' PHE . 53.5 Cg_endo -69.75 116.85 4.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 80.4 p -63.81 -7.1 6.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -86.72 -1.42 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.487 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.2 m-85 -120.02 -34.2 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.1 m -102.09 138.81 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.43 HG12 ' CD1' ' A' ' 33' ' ' LEU . 1.5 m -127.55 152.88 77.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.551 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.76 131.77 21.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.98 -7.76 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.03 -41.81 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -109.68 28.8 8.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.432 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -40.36 103.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.48 -27.17 46.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -111.97 25.96 11.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.638 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.83 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 89' ' ' ALA . 13.7 mt-10 -38.96 -31.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.698 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 34.5 p-90 -62.05 -47.23 85.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.698 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -77.82 -31.97 51.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.638 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.9 m-85 -60.58 -46.36 90.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -81.05 -39.15 13.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.452 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' GLY . 40.8 tptt -33.76 -68.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.329 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -49.62 138.18 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.31 -55.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -65.02 135.81 56.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -52.46 156.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -150.76 153.53 35.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -122.27 143.82 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -174.9 169.79 3.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.1 m -155.02 137.49 15.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.92 65.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -178.02 2.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.733 2.288 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.3 t -160.38 112.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.4 p -108.1 170.74 7.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 29' ' ' ILE . 11.6 mm -77.93 136.89 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.518 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.9 m-85 -139.43 142.89 37.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.03 144.46 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -92.21 116.54 29.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.588 HD22 ' CD1' ' A' ' 92' ' ' TRP . 5.0 mt -83.96 -31.61 25.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.545 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 2.8 m-85 -115.68 141.51 47.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.72 120.33 20.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.586 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 87.9 t80 -117.78 168.86 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 7.8 tt0 -135.1 120.31 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.06 111.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -66.54 -47.08 74.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.1 p -131.43 158.98 39.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.424 ' H ' HG23 ' A' ' 41' ' ' THR . 1.5 p -44.24 -36.06 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -62.64 -37.96 88.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.28 154.88 38.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.592 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -101.57 129.32 47.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.45 ' O ' ' NZ ' ' A' ' 72' ' ' LYS . 89.1 p -84.18 114.38 21.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.696 ' CD1' HG22 ' A' ' 76' ' ' ILE . 41.4 p90 -132.61 161.93 32.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 37.4 mmtm -129.13 166.19 19.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.65 109.22 1.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.85 23.82 6.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 32.9 tt0 -117.07 137.85 52.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 mtt85 -93.01 158.17 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.593 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 37.6 m-85 -156.19 138.2 14.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.04 111.39 18.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.414 HG13 ' CD1' ' A' ' 30' ' ' PHE . 44.1 mm -67.3 106.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.688 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.8 mt -83.38 -48.72 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -132.93 126.54 32.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.548 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 4.4 p30 -127.79 45.02 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 59' ' ' GLU . 9.1 t -74.59 -51.04 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.573 ' N ' HG23 ' A' ' 58' ' ' THR . 6.4 pt-20 -101.74 119.11 38.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.405 ' HA2' ' NE1' ' A' ' 63' ' ' TRP . . . -55.29 -39.48 72.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.94 -58.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 41.9 m95 -143.3 131.34 21.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 40.3 m0 -108.88 142.74 39.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -87.74 118.69 27.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -133.69 162.56 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.688 ' HB2' HD11 ' A' ' 55' ' ' ILE . 10.9 ttt85 -124.85 103.36 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 m -41.26 140.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mt -93.41 -29.24 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.02 -68.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.3 p -75.52 -34.55 60.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.29 17.62 42.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 45' ' ' SER . 9.3 mtmp? -75.29 173.93 10.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.6 p -156.12 138.96 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.9 -134.75 2.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.441 ' H ' ' N ' ' A' ' 44' ' ' LEU . 27.0 m-85 -132.18 129.68 40.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.696 HG22 ' CD1' ' A' ' 46' ' ' PHE . 41.4 pt -125.47 140.99 37.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.82 124.03 10.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.573 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 91.7 p -68.95 -3.11 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -90.18 -3.02 58.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.545 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.3 m-85 -117.99 -34.18 4.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.8 143.84 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.45 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -133.91 152.89 79.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.613 0.72 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.518 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.8 134.73 28.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -5.62 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -96.84 -41.62 8.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.37 25.72 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.451 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -35.51 103.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -77.45 -18.51 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -121.04 25.77 9.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.1 pt-20 -35.43 -30.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 46.4 mt-10 -38.34 -32.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.671 ' CZ3' ' CB ' ' A' ' 93' ' ' TYR . 27.7 p-90 -62.74 -45.1 94.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.671 ' CB ' ' CZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.66 -31.29 32.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.523 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.7 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.9 mm -73.77 138.07 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.0 m-85 -139.02 143.27 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.31 145.77 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.432 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -91.86 120.27 32.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.586 HD22 ' CD1' ' A' ' 92' ' ' TRP . 8.5 mt -87.37 -33.14 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -116.29 149.32 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -79.0 122.96 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.586 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 90.1 t80 -125.47 165.22 18.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 11.4 tp10 -137.45 120.9 17.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HB2' ' C ' ' A' ' 44' ' ' LEU . . . -51.77 106.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -59.15 -45.81 89.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.3 p -128.77 155.98 44.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 t -43.87 -28.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -67.79 -39.39 84.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -74.44 161.2 30.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.637 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -106.3 132.02 52.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.448 ' H ' HD23 ' A' ' 44' ' ' LEU . 62.8 m -84.24 118.6 24.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.768 ' CD1' HG22 ' A' ' 76' ' ' ILE . 41.2 p90 -138.82 154.69 48.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 63.8 mmtt -120.81 168.7 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.02 110.91 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.34 24.1 7.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 19.1 tt0 -116.31 136.99 52.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -92.45 154.74 18.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 42.9 m-85 -152.09 136.37 16.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -81.86 113.87 20.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.412 HG13 ' CD1' ' A' ' 30' ' ' PHE . 45.9 mm -68.3 109.46 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.658 HD11 ' HB2' ' A' ' 66' ' ' ARG . 21.8 mt -85.97 -54.87 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -125.14 125.89 44.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -120.32 46.26 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 t -91.15 -42.9 10.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -87.74 98.98 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.4 -32.01 29.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.52 -51.75 61.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.504 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 49.2 m95 -138.15 129.5 27.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.8 m0 -104.79 145.96 29.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -92.72 117.43 29.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.4 162.78 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.658 ' HB2' HD11 ' A' ' 55' ' ' ILE . 33.5 ttp180 -122.11 105.89 10.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.46 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 3.7 m -44.46 136.23 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.8 mt -88.68 -42.55 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.59 -64.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -75.87 -56.81 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.13 15.9 7.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -78.27 176.67 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 p -154.48 141.2 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.479 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.32 -136.88 2.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -132.53 120.41 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.768 HG22 ' CD1' ' A' ' 46' ' ' PHE . 28.4 pt -112.7 141.17 24.89 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.72 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 46' ' ' PHE . 53.7 Cg_endo -69.81 123.96 10.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.372 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 40.8 p -69.85 -1.78 10.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -92.17 -2.09 56.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -118.71 -33.71 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.517 HG21 HD12 ' A' ' 76' ' ' ILE . 30.6 m -102.85 148.05 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.1 153.0 74.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.8 133.06 24.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.37 -6.77 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -95.07 -41.71 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -109.25 26.11 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.443 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -36.6 103.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -77.89 -22.11 50.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -118.82 27.02 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.642 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.29 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 89' ' ' ALA . 28.0 mt-10 -37.57 -32.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.675 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.4 p-90 -62.94 -46.03 89.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.675 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.59 -31.31 36.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.49 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' HA ' HD13 ' A' ' 29' ' ' ILE . 13.3 mm -73.09 138.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.537 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.6 m-85 -139.39 143.37 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.67 146.56 24.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.55 113.94 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.597 HD11 ' CG1' ' A' ' 82' ' ' VAL . 6.1 mt -80.22 -35.16 36.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -113.85 149.34 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -80.17 118.3 21.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 91.2 t80 -115.11 165.06 13.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 4.8 tt0 -135.29 118.65 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.87 121.45 6.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -75.98 -42.95 46.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 p -129.85 -174.81 3.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 m -64.13 -45.56 87.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -60.89 -25.95 67.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -78.4 139.3 38.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.551 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -93.52 130.44 39.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.0 p -85.82 116.19 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.71 ' CD1' HG22 ' A' ' 76' ' ' ILE . 36.2 p90 -135.56 159.35 41.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -128.52 166.52 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 33' ' ' LEU . 48.7 tttm -63.23 115.2 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.73 24.16 8.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.476 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 12.6 tt0 -119.0 137.22 53.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 18.2 mtt85 -92.85 162.01 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.618 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 48.2 m-85 -158.47 135.2 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -81.62 113.3 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.412 HD13 ' HB2' ' A' ' 65' ' ' ALA . 46.7 mm -66.63 105.02 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.712 HD11 ' HB2' ' A' ' 66' ' ' ARG . 15.8 mt -81.36 -48.7 18.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -134.67 131.14 37.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -123.66 42.92 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 59' ' ' GLU . 9.7 t -84.26 -43.32 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 58' ' ' THR . 5.4 mm-40 -87.68 102.22 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.4 -43.38 51.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -53.87 -54.19 42.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.513 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 31.3 m95 -134.81 137.58 43.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.423 ' CH2' ' OG ' ' A' ' 78' ' ' SER . 45.6 m0 -110.25 151.61 27.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.41 118.07 33.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.412 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -135.15 164.83 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.712 ' HB2' HD11 ' A' ' 55' ' ' ILE . 7.7 ttt180 -124.78 105.9 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.61 138.41 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.8 mt -93.29 -30.53 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.22 -63.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.3 p -80.12 -45.26 18.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.24 31.56 4.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -94.9 176.34 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.3 p -154.26 142.28 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.33 -135.76 2.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -132.8 119.95 20.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.71 HG22 ' CD1' ' A' ' 46' ' ' PHE . 34.0 pt -114.47 141.26 26.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.513 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.78 122.84 9.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.423 ' OG ' ' CH2' ' A' ' 63' ' ' TRP . 29.0 t -68.56 -2.23 8.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -91.48 -2.32 57.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.92 -33.96 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.434 HG21 HD12 ' A' ' 76' ' ' ILE . 33.5 m -102.33 140.43 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.597 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -129.45 152.57 79.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.0 Cg_endo -69.73 134.34 27.8 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.99 -6.35 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.09 -42.06 8.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.17 26.2 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.438 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 1.0 OUTLIER -35.9 103.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.18 -19.84 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.55 26.37 9.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.638 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.6 pt-20 -34.98 -31.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 89' ' ' ALA . 44.6 mt-10 -37.07 -32.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.673 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.3 p-90 -63.13 -46.22 88.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.673 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.72 -31.17 36.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.775 0.321 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 29' ' ' ILE . 13.2 mm -77.86 138.75 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.3 m-85 -140.98 142.53 34.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.06 146.19 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -92.1 110.6 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 92' ' ' TRP . 14.0 mt -74.22 -33.11 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -118.99 148.15 43.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.38 117.27 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 64.7 t80 -114.33 162.4 16.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 14.9 tt0 -130.99 121.5 25.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.449 ' CB ' ' HB3' ' A' ' 45' ' ' SER . . . -51.41 122.77 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -78.11 -37.37 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.2 p -133.35 -174.74 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -71.87 -32.22 67.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.95 -20.82 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.27 140.87 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.619 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -90.49 126.86 36.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 55.3 p -89.13 112.68 23.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.637 ' CD1' HG22 ' A' ' 76' ' ' ILE . 7.1 p90 -122.39 168.77 11.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -128.79 164.46 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -64.66 114.94 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.01 21.82 17.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.7 tp10 -111.93 140.69 46.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 33.9 mtt180 -95.5 163.3 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 30.8 m-85 -160.55 136.61 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.58 111.69 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' A' ' 65' ' ' ALA . 52.2 mm -66.03 104.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 66' ' ' ARG . 17.7 mt -80.18 -45.75 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -142.77 129.46 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.408 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 26.4 p30 -122.57 42.76 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 59' ' ' GLU . 5.6 t -79.31 -42.6 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 58' ' ' THR . 28.1 mt-10 -87.69 101.84 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.01 -36.92 28.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -60.11 -51.24 70.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.826 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.527 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 26.6 m95 -139.49 137.98 35.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.457 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 44.0 m0 -111.5 148.34 33.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.5 116.05 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.532 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -135.59 159.45 41.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.553 ' HB2' HD11 ' A' ' 55' ' ' ILE . 43.1 ttp180 -122.3 106.74 11.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -46.24 139.36 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.1 mt -94.1 -21.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.36 -61.73 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 p -83.13 -28.6 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.47 10.8 67.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -70.86 172.06 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.416 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 36.0 p -153.23 144.43 23.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.484 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 170.76 -140.03 5.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.474 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 27.2 m-85 -125.99 127.45 45.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.948 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.637 HG22 ' CD1' ' A' ' 46' ' ' PHE . 35.4 pt -120.78 139.56 29.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.527 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.75 125.2 11.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.457 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 84.5 p -69.22 -10.65 58.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -83.06 -1.63 53.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -120.22 -36.01 3.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 HD12 ' A' ' 76' ' ' ILE . 26.8 m -102.21 140.54 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -130.83 153.06 81.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.717 . . . . 0.0 111.195 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.498 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.74 134.67 28.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.5 -5.0 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -96.91 -41.74 8.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.22 23.16 14.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.13 103.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.078 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -78.1 -20.63 51.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.29 26.86 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.638 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.2 pt-20 -35.28 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 42.2 mt-10 -37.54 -33.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.683 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.8 p-90 -61.44 -46.26 90.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.683 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.05 -31.91 39.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.55 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 10.1 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.778 0.323 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 29' ' ' ILE . 10.0 mm -74.4 137.4 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.9 m-85 -139.02 143.05 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -117.93 145.27 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.86 116.5 27.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.046 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 92' ' ' TRP . 9.9 mt -82.89 -34.25 26.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.532 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.4 m-85 -117.49 150.67 38.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -81.37 121.17 25.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 90.8 t80 -121.63 150.43 41.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -118.81 121.03 39.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.81 106.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -60.99 -46.77 89.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 43' ' ' ASP . 21.2 p -131.37 153.05 50.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -42.22 -26.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -69.67 -41.46 75.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' THR . 2.7 m-20 -73.52 155.07 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.564 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -96.6 131.25 43.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.517 ' N ' HD23 ' A' ' 44' ' ' LEU . 45.7 p -87.48 114.48 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.672 ' CD1' HG22 ' A' ' 76' ' ' ILE . 25.9 p90 -134.51 159.77 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -127.41 161.08 29.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -58.24 119.27 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.85 21.37 18.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.95 134.87 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.83 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.515 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 71.3 mtt180 -92.38 164.78 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 42.5 m-85 -160.15 144.74 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -88.4 111.5 21.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 mm -66.12 105.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 66' ' ' ARG . 11.9 mt -81.77 -45.67 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -140.83 128.89 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.569 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 24.8 p30 -126.56 42.86 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.529 HG23 ' N ' ' A' ' 59' ' ' GLU . 6.9 t -68.61 -49.76 56.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.529 ' N ' HG23 ' A' ' 58' ' ' THR . 11.6 pt-20 -105.65 122.0 45.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' ASP . . . -56.78 -45.2 91.44 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' GLY . 10.8 m-20 -35.29 -52.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 34.5 m95 -148.45 133.47 18.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.4 m0 -110.29 141.46 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -85.89 114.18 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.34 165.26 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.663 ' HB2' HD11 ' A' ' 55' ' ' ILE . 25.5 ttm-85 -128.91 106.69 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -39.15 142.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mt -96.68 -29.56 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.88 -60.82 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.7 p -78.23 -48.34 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.18 11.46 23.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -71.12 175.94 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.439 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 35.2 p -155.63 144.18 20.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.489 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.6 -143.76 7.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.438 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 30.2 m-85 -128.12 117.72 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.947 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.672 HG22 ' CD1' ' A' ' 46' ' ' PHE . 43.4 pt -111.89 139.96 22.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.82 123.02 9.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 53.1 p -66.66 -4.7 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -85.22 -15.88 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.532 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.4 m-85 -105.89 -32.65 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.523 HG11 HD12 ' A' ' 76' ' ' ILE . 34.8 m -102.25 150.87 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -140.69 152.99 67.44 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.632 0.73 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.79 133.38 25.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.53 -6.5 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -95.76 -41.8 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.4 25.64 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.436 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.36 103.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -77.6 -20.95 53.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -119.89 26.86 9.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.635 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -34.97 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ALA . 27.1 mt-10 -37.39 -31.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.669 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 28.4 p-90 -64.0 -45.79 87.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.669 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.97 -30.97 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.759 0.314 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 29' ' ' ILE . 12.2 mm -77.78 137.06 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.3 m-85 -139.9 144.34 37.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -118.96 147.59 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.21 114.07 26.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.594 HD22 ' CD1' ' A' ' 92' ' ' TRP . 9.6 mt -76.22 -37.1 58.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.9 154.89 27.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.02 114.56 23.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 78.6 t80 -114.33 166.81 11.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.501 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 28.2 tt0 -133.71 123.24 24.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.96 114.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -61.96 -44.0 97.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 p -137.26 -178.44 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.3 t -62.71 -19.8 64.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' ' CD2' ' A' ' 75' ' ' TYR . 4.6 pt-20 -80.9 -29.86 35.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -84.33 149.46 26.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.584 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -97.39 129.61 44.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.458 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 3.7 m -87.52 114.21 23.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.68 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 22.4 p90 -128.7 151.24 49.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -111.63 160.9 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -62.08 112.82 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.65 20.38 13.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 5.0 tp10 -111.43 138.25 48.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 43.6 mtt180 -90.84 163.61 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 48.8 m-85 -159.85 136.91 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' HG3' HD11 ' A' ' 68' ' ' ILE . 53.4 mt-30 -82.35 111.71 18.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.414 HD13 ' HB2' ' A' ' 65' ' ' ALA . 46.0 mm -67.23 106.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.3 mt -82.57 -46.36 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -140.27 126.44 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.554 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 25.5 p30 -127.68 46.75 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.6 t -73.71 -45.65 50.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.484 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 12.9 pt-20 -105.49 120.63 42.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' ASP . . . -55.15 -41.77 79.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' GLY . 19.2 m-20 -38.11 -59.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 36.4 m95 -143.41 133.46 24.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 44.0 m0 -111.16 137.55 48.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.18 122.4 27.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.414 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -139.93 161.75 36.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' A' ' 55' ' ' ILE . 27.8 ttm180 -124.06 108.45 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.1 t -45.1 134.83 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.813 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.431 HD11 ' HG3' ' A' ' 53' ' ' GLN . 9.9 mt -89.12 -33.85 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.57 -63.2 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.1 p -77.83 -52.51 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.77 13.23 11.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -74.6 176.58 6.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 p -154.23 145.16 22.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.482 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 172.44 -145.37 8.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 24.9 m-85 -126.17 122.66 36.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.677 HG22 ' CD1' ' A' ' 46' ' ' PHE . 37.6 pt -114.58 142.07 27.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 123.76 10.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.334 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 14.9 p -68.52 -3.72 12.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -89.62 -2.72 58.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -119.23 -32.52 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.61 HG11 HD12 ' A' ' 76' ' ' ILE . 31.2 m -102.25 152.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -144.03 152.96 56.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.606 0.717 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.8 133.89 26.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.6 -5.77 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -96.13 -41.75 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.57 25.12 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.439 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.82 103.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -77.38 -25.18 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -116.08 27.51 9.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.637 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.07 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 3.7 mm-40 -37.78 -32.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.665 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.0 p-90 -63.12 -45.77 90.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.665 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.06 -31.14 34.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.903 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.3 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.826 0.346 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 29' ' ' ILE . 10.5 mm -72.01 137.36 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.5 m-85 -139.08 145.07 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.37 146.46 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -90.19 112.67 24.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.693 HD11 ' CG1' ' A' ' 82' ' ' VAL . 11.2 mt -77.09 -36.3 55.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.431 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.2 m-85 -116.12 150.7 36.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.13 114.46 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.581 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 85.3 t80 -110.42 168.96 9.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.513 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 20.3 tt0 -135.18 118.26 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.64 117.75 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.2 mtt-85 -65.15 -44.51 88.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 p -138.09 -176.15 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 42' ' ' GLU . 9.7 t -57.98 -43.8 86.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 41' ' ' THR . 4.6 pt-20 -60.41 -34.03 73.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -73.74 143.68 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.564 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -95.01 124.65 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.432 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 60.0 p -83.23 113.49 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.708 ' CD1' HG22 ' A' ' 76' ' ' ILE . 45.6 p90 -130.76 161.18 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 64.4 mmtt -129.83 166.48 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -62.56 117.94 6.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.34 15.71 31.78 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 6.9 tt0 -110.1 135.9 50.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.514 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 49.4 mtt180 -93.9 163.83 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 38.3 m-85 -160.01 136.54 8.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.542 ' HG3' HD11 ' A' ' 68' ' ' ILE . 53.5 mt-30 -81.77 113.54 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.439 HD13 ' HB2' ' A' ' 65' ' ' ALA . 46.7 mm -67.11 105.43 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.642 HD11 ' HB2' ' A' ' 66' ' ' ARG . 12.0 mt -80.77 -49.56 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -136.63 126.39 25.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -122.77 45.06 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.4 t -81.42 -42.0 21.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 58' ' ' THR . 27.3 mt-10 -95.3 108.11 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.82 -46.22 54.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -44.27 -59.32 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 40.6 m95 -133.33 140.8 47.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.455 ' CH2' ' OG ' ' A' ' 78' ' ' SER . 44.5 m0 -114.22 144.78 42.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -91.88 118.42 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.439 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -136.26 164.15 28.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.642 ' HB2' HD11 ' A' ' 55' ' ' ILE . 19.1 ttp-105 -123.58 104.1 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -42.95 138.03 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.542 HD11 ' HG3' ' A' ' 53' ' ' GLN . 6.1 mt -97.32 -25.17 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.67 -48.73 30.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.085 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.2 p -100.58 -42.53 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.33 14.24 18.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -73.55 176.61 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.6 p -155.34 140.57 17.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.471 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 178.05 -145.34 6.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -127.42 117.36 22.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.708 HG22 ' CD1' ' A' ' 46' ' ' PHE . 37.5 pt -110.41 142.23 25.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.66 0.743 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.73 125.74 12.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.455 ' OG ' ' CH2' ' A' ' 63' ' ' TRP . 32.2 t -69.87 -4.94 22.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -88.48 -2.67 58.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.431 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 4.3 m-85 -119.3 -32.34 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.593 HG11 HD12 ' A' ' 76' ' ' ILE . 30.4 m -102.27 147.82 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.693 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -138.29 152.83 72.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.558 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.7 Cg_endo -69.79 134.82 28.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.42 -5.03 4.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.01 -41.64 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -108.38 23.44 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.5 103.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -77.34 -23.59 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -117.81 27.44 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.637 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.1 pt-20 -34.77 -31.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 4.5 mp0 -37.2 -33.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.678 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.1 p-90 -61.9 -46.63 88.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.678 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.93 -31.58 40.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.451 ' CD2' ' HB2' ' A' ' 90' ' ' GLU . 8.1 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.75 0.309 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' A' ' 29' ' ' ILE . 12.2 mm -78.13 138.28 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.477 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.3 m-85 -140.63 143.88 35.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.49 146.3 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.92 115.34 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.605 HD11 ' CG1' ' A' ' 82' ' ' VAL . 9.5 mt -79.55 -36.94 37.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -115.04 152.51 32.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -81.05 128.46 33.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.9 t80 -124.69 168.86 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.519 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 2.0 tp10 -136.04 121.77 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.01 111.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 39' ' ' ARG . 16.9 mtm105 -63.31 -42.07 99.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.0 p -138.88 -175.02 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -64.14 -33.3 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -71.29 -23.82 62.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -84.92 144.06 28.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.576 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -94.66 129.95 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.9 p -86.84 114.19 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.716 ' CD1' HG22 ' A' ' 76' ' ' ILE . 30.2 p90 -130.05 168.27 17.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -134.17 160.47 37.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -61.48 112.35 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.91 18.18 11.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.7 tt0 -113.5 140.41 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 57.5 mtt180 -96.28 161.32 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.558 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 32.7 m-85 -157.82 141.4 15.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -85.63 110.19 19.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.1 mm -64.25 106.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.734 HD11 ' HB2' ' A' ' 66' ' ' ARG . 16.6 mt -83.12 -48.15 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -136.01 130.53 33.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -123.62 42.16 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 59' ' ' GLU . 10.0 t -83.06 -44.27 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.473 ' N ' HG23 ' A' ' 58' ' ' THR . 14.8 mt-10 -84.43 100.02 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.79 -36.4 26.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.99 -55.56 31.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.541 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 35.8 m95 -132.87 135.69 45.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 49.9 m0 -108.47 144.17 36.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -90.39 121.97 32.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.76 160.37 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.734 ' HB2' HD11 ' A' ' 55' ' ' ILE . 10.7 ttt180 -121.53 106.07 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.4 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 1.3 m -45.13 142.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.4 mt -93.86 -32.37 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.26 -56.45 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.2 p -80.59 -24.64 38.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.98 13.02 83.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -71.64 175.65 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 p -157.0 141.44 16.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 170.88 -136.47 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -131.84 128.47 38.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.716 HG22 ' CD1' ' A' ' 46' ' ' PHE . 35.7 pt -120.7 142.77 34.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 111.101 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.541 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.72 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.2 p -64.67 -6.22 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -87.21 -2.16 58.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -119.26 -30.96 4.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.491 HG11 HD12 ' A' ' 76' ' ' ILE . 30.9 m -104.5 141.71 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.605 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -131.48 152.84 81.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 111.176 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.477 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.74 133.94 26.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.316 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -5.64 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -96.25 -41.67 8.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.63 23.72 14.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.7 103.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.04 -25.0 52.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -116.87 28.24 8.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.637 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.9 pt-20 -35.24 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ALA . 28.1 mt-10 -37.78 -33.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.683 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 28.4 p-90 -62.37 -46.52 88.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.683 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.02 -31.24 39.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.501 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.6 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.1 mm -71.53 134.05 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.541 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.4 m-85 -137.25 141.67 42.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 t -118.43 144.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -89.02 113.78 24.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.625 HD11 ' CG1' ' A' ' 82' ' ' VAL . 13.2 mt -78.76 -36.04 43.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.422 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.1 m-85 -117.38 145.73 43.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -71.79 135.97 46.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 80.3 t80 -136.23 154.74 50.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -122.81 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -52.27 106.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -51.18 -24.25 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 t -173.72 165.4 4.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.2 p -37.69 -46.81 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -48.36 -49.27 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -76.95 162.32 27.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -104.74 130.3 52.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.459 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 95.8 p -86.03 117.7 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.624 ' CD1' HG22 ' A' ' 76' ' ' ILE . 40.3 p90 -135.58 154.08 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -116.86 166.87 11.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -65.06 112.66 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.68 26.04 7.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 1.7 tp10 -115.19 139.63 49.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 27.7 mtt180 -93.33 160.83 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 46' ' ' PHE . 30.2 m-85 -160.62 137.41 8.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -84.37 113.31 21.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.413 HD13 ' HB2' ' A' ' 65' ' ' ALA . 48.5 mm -65.69 108.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.629 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.3 mt -82.34 -51.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.64 131.11 44.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.472 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -122.49 45.44 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 t -91.73 -41.2 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -88.57 99.21 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.33 -47.19 35.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -49.04 -54.37 16.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 25.9 m95 -136.69 138.13 40.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.514 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 47.6 m0 -109.34 144.66 37.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -91.37 117.44 29.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -134.46 169.17 17.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.629 ' HB2' HD11 ' A' ' 55' ' ' ILE . 27.9 ttm180 -128.48 105.47 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -45.85 141.91 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.3 mt -97.33 -27.11 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.33 -67.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -78.14 -44.23 26.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.89 31.35 5.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -93.21 176.46 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.6 p -154.0 142.3 20.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.477 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 177.03 -136.15 3.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.482 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.46 ' H ' ' N ' ' A' ' 44' ' ' LEU . 15.5 m-85 -132.52 123.68 27.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.624 HG22 ' CD1' ' A' ' 46' ' ' PHE . 35.9 pt -118.14 139.68 26.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.678 0.752 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.79 119.83 6.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.514 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 59.9 p -64.33 -8.22 12.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -83.36 -8.02 59.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.422 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.8 m-85 -113.76 -33.96 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 76' ' ' ILE . 32.7 m -102.69 139.09 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.625 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -128.09 152.84 78.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.541 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.4 Cg_endo -69.79 132.13 22.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.94 -7.35 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -94.92 -40.85 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -111.62 29.87 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.446 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -40.79 103.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -77.22 -19.94 55.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -119.95 26.08 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.642 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.26 -30.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 89' ' ' ALA . 53.6 mt-10 -37.67 -32.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.687 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.6 p-90 -62.8 -46.47 87.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.687 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.9 -31.27 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.7 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.744 0.307 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.416 ' HA ' HD13 ' A' ' 29' ' ' ILE . 12.0 mm -79.34 138.48 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.3 m-85 -141.76 143.14 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -117.89 147.27 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.84 115.61 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 92' ' ' TRP . 12.5 mt -80.66 -35.28 34.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.447 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.9 m-85 -114.15 151.8 32.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -84.92 128.12 34.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 78.9 t80 -130.61 168.59 16.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.546 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 35.8 tp10 -136.47 121.42 18.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.519 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.45 112.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -64.85 -46.92 79.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.6 p -128.28 162.26 27.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -48.21 -32.73 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.52 -32.85 73.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.08 159.55 30.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.652 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -111.79 126.23 54.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.519 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 4.7 t -86.24 139.74 30.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CE1' HG22 ' A' ' 76' ' ' ILE . 3.9 p90 -151.04 166.25 31.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -126.76 157.01 40.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -58.46 106.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.16 29.35 4.31 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -117.59 147.71 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.522 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 9.6 mtt85 -101.45 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 16.2 m-85 -161.04 136.09 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.629 ' HG3' HD11 ' A' ' 68' ' ' ILE . 36.8 mt-30 -81.75 113.19 19.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.9 mm -65.88 106.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.743 HD11 ' HB2' ' A' ' 66' ' ' ARG . 12.9 mt -83.4 -46.47 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -140.22 125.28 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.546 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -126.27 45.01 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.9 t -74.78 -46.2 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.481 ' N ' HG23 ' A' ' 58' ' ' THR . 0.9 OUTLIER -102.81 119.82 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.14 -41.01 94.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' CD1' ' A' ' 62' ' ' TRP . 2.7 m-20 -40.67 -51.35 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 48.7 m95 -148.36 133.25 18.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 46.6 m0 -109.08 141.64 40.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -87.63 114.83 24.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.63 157.23 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.743 ' HB2' HD11 ' A' ' 55' ' ' ILE . 8.2 ttt180 -120.43 104.06 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.471 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 1.2 t -42.71 138.3 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.629 HD11 ' HG3' ' A' ' 53' ' ' GLN . 6.7 mt -96.62 -31.08 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.07 -57.82 4.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 75.9 p -90.89 -44.06 9.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.67 17.33 9.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.581 ' HB3' HD21 ' A' ' 44' ' ' LEU . 55.3 mttt -70.73 167.75 18.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.9 p -156.71 135.55 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.485 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 175.21 -131.43 1.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.486 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 19.4 m-85 -132.33 126.5 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.957 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.652 HG23 ' HB3' ' A' ' 44' ' ' LEU . 31.3 pt -122.25 140.88 33.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.8 118.85 5.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 96.0 p -63.11 -10.03 13.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -82.48 -4.05 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.447 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.7 m-85 -117.32 -31.81 5.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.487 HG11 HD12 ' A' ' 76' ' ' ILE . 31.3 m -102.95 146.45 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.526 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -138.09 153.13 73.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.547 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.76 134.0 26.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.75 -5.58 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -96.26 -41.74 8.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.62 24.98 12.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.444 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.59 103.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -77.12 -20.95 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.08 27.12 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.641 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.8 pt-20 -34.97 -31.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 20.0 mt-10 -37.16 -33.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.694 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.0 p-90 -62.08 -47.78 83.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.694 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -78.53 -31.03 47.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.505 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.3 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.805 0.335 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.4 mm -76.5 139.16 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.4 m-85 -140.67 144.92 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.422 HG22 ' HG2' ' A' ' 51' ' ' ARG . 3.7 t -121.96 146.9 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.48 118.4 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.544 HD22 ' CD1' ' A' ' 92' ' ' TRP . 5.6 mt -85.19 -32.62 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.8 m-85 -114.93 154.19 29.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -83.76 119.81 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 91.1 t80 -120.43 160.2 23.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 19.1 tt0 -129.93 121.26 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -55.03 112.18 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -57.31 -21.21 33.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -171.84 163.57 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.6 m -38.18 -46.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -50.36 -43.1 54.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.6 154.52 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.556 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -97.18 127.58 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.42 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 2.5 p -85.79 111.95 20.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.72 ' CD1' HG22 ' A' ' 76' ' ' ILE . 39.0 p90 -129.11 154.81 46.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -120.65 162.56 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -60.91 108.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.1 35.22 3.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 17.0 tt0 -128.02 135.63 50.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.908 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HG2' HG22 ' A' ' 31' ' ' VAL . 50.8 mtt180 -92.74 155.68 17.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 35.8 m-85 -152.2 144.69 24.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' HG3' HD11 ' A' ' 68' ' ' ILE . 34.6 mt-30 -86.89 108.95 19.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.402 HD13 ' HB2' ' A' ' 65' ' ' ALA . 41.3 mm -64.49 104.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.635 HD11 ' HB2' ' A' ' 66' ' ' ARG . 18.1 mt -81.68 -47.17 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -135.03 124.11 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 25.4 p30 -117.57 38.9 3.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.7 t -85.06 -39.72 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 10.9 mt-10 -94.96 98.86 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.54 -55.18 14.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 17.2 p-10 -40.79 -48.14 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 41.1 m95 -144.35 131.44 20.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.5 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 38.0 m0 -108.79 149.54 28.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -93.66 110.67 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -130.13 153.07 48.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.635 ' HB2' HD11 ' A' ' 55' ' ' ILE . 35.6 ttm180 -117.7 108.29 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.4 t -42.11 135.73 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.465 HD11 ' HG3' ' A' ' 53' ' ' GLN . 5.4 mt -92.37 -24.98 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.04 -61.02 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.3 p -80.85 -51.47 8.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.53 10.71 12.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -70.94 171.91 9.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.0 p -154.47 144.0 21.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.469 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.4 -138.44 4.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.471 ' H ' ' N ' ' A' ' 44' ' ' LEU . 18.5 m-85 -132.45 127.22 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.72 HG22 ' CD1' ' A' ' 46' ' ' PHE . 32.2 pt -120.62 142.3 33.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.78 122.12 8.8 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.5 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 54.4 p -66.86 -4.02 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -89.04 -3.26 58.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.403 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.2 m-85 -118.53 -32.49 4.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.572 HG11 HD12 ' A' ' 76' ' ' ILE . 30.2 m -102.11 147.64 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -138.87 152.67 70.86 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.643 0.735 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.77 133.28 25.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -6.91 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -95.2 -41.53 9.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -109.92 28.02 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.453 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -38.9 104.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.669 ' OE1' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -76.04 -30.2 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.669 ' HB2' ' OE1' ' A' ' 88' ' ' GLN . . . -106.66 24.94 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.62 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -36.29 -28.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 89' ' ' ALA . 25.9 mt-10 -41.44 -32.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.686 ' CZ3' ' CB ' ' A' ' 93' ' ' TYR . 27.4 p-90 -61.82 -44.98 95.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.686 ' CB ' ' CZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.22 -32.09 38.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 9.2 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.769 0.319 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 29' ' ' ILE . 11.7 mm -74.98 138.36 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.9 m-85 -139.9 145.39 37.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.99 146.89 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.8 114.37 26.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 92' ' ' TRP . 13.4 mt -79.47 -35.87 39.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -115.19 156.23 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 124.53 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 88.2 t80 -125.23 168.79 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 27.7 tt0 -138.09 120.54 16.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HB3' ' OG ' ' A' ' 45' ' ' SER . . . -51.59 110.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -60.09 -47.52 85.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.4 p -125.54 163.03 23.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -51.57 -23.22 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -76.85 -31.59 56.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.86 150.22 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.653 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -94.95 127.68 41.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.429 ' OG ' ' HB3' ' A' ' 38' ' ' ALA . 6.2 m -87.74 118.27 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.703 ' CD1' HG22 ' A' ' 76' ' ' ILE . 20.9 p90 -132.79 165.25 25.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -131.02 157.9 41.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -58.74 113.53 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.93 25.08 7.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 31.8 tt0 -119.56 139.28 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -94.05 158.58 15.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 36.0 m-85 -156.16 135.63 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' HG3' HD11 ' A' ' 68' ' ' ILE . 48.8 mt-30 -82.42 113.64 20.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.493 HG21 ' ND2' ' A' ' 57' ' ' ASN . 19.4 mm -64.82 112.24 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.737 HD11 ' HB2' ' A' ' 66' ' ' ARG . 15.0 mt -87.74 -49.48 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -137.98 123.26 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.542 ' OD1' ' CG ' ' A' ' 63' ' ' TRP . 8.6 m-20 -120.5 45.22 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.8 t -89.08 -41.04 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.421 ' N ' HG23 ' A' ' 58' ' ' THR . 17.5 mt-10 -91.75 97.11 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -43.93 -49.2 7.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -38.77 -59.97 0.89 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.748 0.309 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 36.4 m95 -138.63 138.65 38.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CG ' ' OD1' ' A' ' 57' ' ' ASN . 46.1 m0 -105.69 144.06 32.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.34 111.35 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.66 163.76 23.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.737 ' HB2' HD11 ' A' ' 55' ' ' ILE . 6.4 ttt85 -125.77 106.71 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t -42.34 141.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.411 HD11 ' HG3' ' A' ' 53' ' ' GLN . 9.5 mt -96.18 -31.52 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.163 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.32 -60.96 2.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.5 p -79.55 -45.37 19.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.09 14.42 24.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -73.68 175.01 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.414 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 42.6 p -155.42 144.01 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.48 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 172.31 -140.12 5.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.48 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 22.0 m-85 -128.22 123.54 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.703 HG22 ' CD1' ' A' ' 46' ' ' PHE . 31.9 pt -118.37 140.97 28.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.77 123.61 10.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.2 p -66.95 -16.72 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -76.8 -2.28 32.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -119.29 -31.82 4.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.636 HG11 HD12 ' A' ' 76' ' ' ILE . 32.6 m -102.13 148.54 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.496 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -140.9 152.93 66.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.76 134.06 27.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.04 -4.92 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -96.91 -39.49 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -111.45 26.92 10.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.46 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -38.56 103.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -78.08 -21.1 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -117.88 25.66 10.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.622 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.92 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 89' ' ' ALA . 52.3 mt-10 -40.03 -32.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.675 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.4 p-90 -61.16 -43.85 98.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.675 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.57 -32.44 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.919 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.622 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.2 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.725 0.298 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.2 mm -79.34 140.72 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 16.5 m-85 -141.67 144.56 34.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.54 146.8 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -90.94 113.81 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.618 HD11 HG11 ' A' ' 82' ' ' VAL . 12.0 mt -79.56 -35.4 39.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -116.46 143.85 45.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -73.98 130.56 40.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 75.0 t80 -128.35 168.57 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.549 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 7.8 tt0 -136.1 119.98 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.56 108.36 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -63.18 -47.77 81.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.8 p -127.34 158.2 37.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -45.97 -29.26 1.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.73 -37.05 76.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -74.64 145.78 42.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.572 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -91.27 130.43 37.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.3 p -86.8 113.67 22.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.695 ' CD1' HG22 ' A' ' 76' ' ' ILE . 26.0 p90 -129.57 165.73 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 15.5 mmtp -132.3 161.7 32.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -61.62 112.29 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.73 15.32 20.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.514 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 18.1 tt0 -109.49 135.8 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 52.0 mtt180 -88.02 161.44 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.671 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 55.8 m-85 -158.92 136.01 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -83.98 113.06 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.07 111.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.807 HD11 ' HB2' ' A' ' 66' ' ' ARG . 22.5 mt -88.51 -51.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -131.61 125.6 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.46 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -119.99 39.47 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.4 t -85.64 -42.62 14.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' N ' HG23 ' A' ' 58' ' ' THR . 21.6 mt-10 -83.29 97.8 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.51 -35.01 21.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.52 -53.79 51.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 38.4 m95 -135.85 138.21 42.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.506 ' CD2' ' HB3' ' A' ' 78' ' ' SER . 53.7 m0 -109.58 135.53 50.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -82.48 118.06 22.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.87 158.55 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.807 ' HB2' HD11 ' A' ' 55' ' ' ILE . 19.1 ttm-85 -119.51 109.47 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.39 138.48 13.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 mt -93.22 -43.8 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.85 -62.19 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -80.35 -50.59 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.22 16.29 10.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -76.82 176.66 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 p -153.94 139.26 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.83 -140.51 4.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -130.12 128.11 41.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.838 HD12 HG11 ' A' ' 81' ' ' VAL . 37.4 pt -121.88 139.68 30.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.81 116.14 4.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.506 ' HB3' ' CD2' ' A' ' 63' ' ' TRP . 76.1 p -57.03 -27.07 61.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -65.13 -5.97 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.48 -33.34 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.838 HG11 HD12 ' A' ' 76' ' ' ILE . 28.6 m -102.35 141.28 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.618 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -133.59 152.9 79.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.717 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.485 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.5 Cg_endo -69.79 135.38 30.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -4.43 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -39.82 8.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -110.71 24.15 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.449 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -34.22 103.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -77.05 -17.79 58.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -122.45 26.23 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.635 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -34.97 -31.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 89' ' ' ALA . 22.9 mt-10 -37.41 -34.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.674 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 26.8 p-90 -60.94 -45.9 92.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.674 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.13 -31.36 34.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.9 mm -73.76 137.0 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.3 m-85 -138.57 142.45 39.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.4 144.06 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -89.89 115.42 27.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.46 HD11 HG11 ' A' ' 82' ' ' VAL . 17.3 mt -80.89 -34.71 33.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 2.0 m-85 -117.76 139.88 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 130.43 40.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.587 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 79.7 t80 -129.79 168.7 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 13.4 tm-20 -136.35 119.97 17.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB3' ' OG ' ' A' ' 45' ' ' SER . . . -51.81 106.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -59.95 -47.72 84.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p -127.6 154.6 45.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -44.44 -23.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.47 -40.18 70.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -74.52 159.07 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.586 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -102.05 131.18 48.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 38' ' ' ALA . 54.1 m -84.53 118.01 24.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.692 ' CD1' HG22 ' A' ' 76' ' ' ILE . 39.2 p90 -137.06 162.18 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 21.6 mmtp -130.77 168.84 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -64.89 117.12 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.47 23.63 12.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 17.6 tt0 -117.12 136.86 52.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 37.7 mtt-85 -93.38 163.34 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 34.7 m-85 -160.36 137.45 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -82.44 112.43 19.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.15 107.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 66' ' ' ARG . 13.5 mt -82.78 -52.26 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -130.65 129.65 42.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -122.98 43.54 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.8 t -84.84 -44.99 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 58' ' ' THR . 20.8 mt-10 -88.47 103.63 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.28 -37.79 55.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -51.89 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.54 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 40.6 m95 -139.36 136.19 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.7 m0 -110.09 144.91 37.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -91.2 116.18 28.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.92 161.62 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.717 ' HB2' HD11 ' A' ' 55' ' ' ILE . 47.5 ttp180 -123.27 103.34 8.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.406 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 7.7 m -40.38 141.61 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mt -93.39 -48.9 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 p -76.96 -58.09 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.37 12.26 9.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -71.1 175.93 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.5 p -156.42 140.56 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 176.03 -138.89 4.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -128.68 128.79 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.692 HG22 ' CD1' ' A' ' 46' ' ' PHE . 34.8 pt -122.91 141.43 35.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.54 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.77 121.25 7.94 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 83.3 p -66.74 -4.1 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -88.41 -5.9 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.8 m-85 -114.79 -34.95 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 32' ' ' ALA . 35.4 m -102.17 138.58 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.46 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -128.64 152.94 79.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.612 0.72 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.533 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.79 132.58 23.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.316 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.77 -7.34 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -94.44 -41.92 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -109.33 29.16 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.449 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -41.17 103.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -77.54 -16.57 58.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -122.9 25.29 8.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.628 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.2 pt-20 -35.2 -30.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 89' ' ' ALA . 3.1 mp0 -38.55 -35.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.695 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.9 p-90 -59.64 -45.07 93.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.695 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.6 -32.67 36.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.451 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.8 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.2 mm -76.5 141.03 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.524 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 14.4 m-85 -142.45 144.19 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.27 144.26 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -86.89 114.01 23.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.669 HD11 HG11 ' A' ' 82' ' ' VAL . 20.6 mt -77.56 -37.01 51.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.512 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.7 m-85 -118.63 144.31 46.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -72.29 135.21 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 59.4 t80 -136.18 158.26 44.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 2.1 tp10 -123.99 120.42 32.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -53.04 110.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -54.6 -28.65 47.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.9 168.52 19.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -44.81 -38.37 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.3 -40.92 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -81.46 156.4 25.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.485 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -100.16 126.7 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.478 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 18.6 p -84.72 115.41 22.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.6 ' CD1' HG22 ' A' ' 76' ' ' ILE . 33.6 p90 -131.01 166.54 20.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.829 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 25.0 mmtp -132.98 165.58 24.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -64.14 113.6 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.69 24.66 8.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 16.0 tt0 -118.89 136.87 53.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 74.5 mtt180 -93.42 163.36 13.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 30.8 m-85 -159.78 142.9 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -86.3 108.73 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.452 HD13 ' HB2' ' A' ' 65' ' ' ALA . 43.1 mm -64.6 108.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 66' ' ' ARG . 21.3 mt -83.81 -50.92 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -129.69 123.21 30.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -119.78 34.82 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.1 t -83.89 -45.23 13.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.477 ' N ' HG23 ' A' ' 58' ' ' THR . 13.8 mt-10 -81.66 97.43 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -48.29 -43.72 26.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -50.38 -60.88 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.489 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 64.2 m95 -128.88 138.11 51.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.439 ' CD2' ' HB3' ' A' ' 78' ' ' SER . 44.8 m0 -110.52 136.09 50.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.04 123.76 33.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -142.11 159.5 42.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.497 ' HB2' HD11 ' A' ' 55' ' ' ILE . 23.8 ttm180 -121.86 106.3 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.91 143.62 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.1 mt -96.68 -36.32 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.37 -57.45 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.6 p -78.98 -38.41 36.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.5 20.23 35.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CB ' HD21 ' A' ' 44' ' ' LEU . 15.9 mttp -82.8 171.33 14.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 p -156.85 131.23 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . -176.89 -132.83 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -132.58 120.91 22.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.877 HD12 HG11 ' A' ' 81' ' ' VAL . 47.3 pt -114.99 141.41 26.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.49 ' HD2' ' CE1' ' A' ' 46' ' ' PHE . 53.6 Cg_endo -69.75 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.439 ' HB3' ' CD2' ' A' ' 63' ' ' TRP . 94.2 p -60.87 -9.5 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -82.8 -4.18 57.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.512 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.9 m-85 -118.7 -30.27 5.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.877 HG11 HD12 ' A' ' 76' ' ' ILE . 35.1 m -102.34 145.77 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.669 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -139.27 152.9 70.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.639 0.733 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.524 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.85 133.56 25.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -5.52 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -95.9 -41.77 8.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -107.96 23.25 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.7 OUTLIER -33.7 103.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.73 -23.0 49.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.544 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -118.59 27.76 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.631 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.5 pt-20 -35.49 -29.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' ALA . 25.8 mt-10 -39.22 -32.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.658 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.0 p-90 -62.39 -44.41 96.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.658 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -82.38 -31.37 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.0 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.776 0.322 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mm -77.47 141.75 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 18.9 m-85 -142.61 143.73 32.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.44 148.68 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.73 111.45 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.627 HD11 HG11 ' A' ' 82' ' ' VAL . 12.9 mt -76.54 -35.9 57.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -115.04 150.81 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.85 131.26 35.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.7 t80 -129.13 168.64 15.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.516 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 25.8 tp10 -136.37 119.95 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.91 110.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -65.42 -47.56 75.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 p -129.44 163.5 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 t -52.65 -23.08 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -77.12 -27.41 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.69 150.66 24.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.619 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -97.32 128.5 44.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -85.55 137.11 33.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.662 ' CE1' HG22 ' A' ' 76' ' ' ILE . 19.5 p90 -153.78 168.72 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -132.99 170.91 14.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -68.84 105.38 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.22 32.07 2.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 21.1 tt0 -126.03 137.35 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.506 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 65.6 mtt180 -90.68 163.59 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 47.5 m-85 -160.13 133.81 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -81.61 114.11 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.7 mm -66.87 109.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 66' ' ' ARG . 13.6 mt -85.1 -48.43 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -137.06 128.62 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.6 41.96 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 59' ' ' GLU . 10.1 t -83.96 -44.58 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' N ' HG23 ' A' ' 58' ' ' THR . 22.4 mt-10 -82.83 98.62 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.32 -37.69 25.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.16 -54.35 47.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 35.8 m95 -133.88 140.15 46.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 78' ' ' SER . 53.7 m0 -110.95 143.01 42.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -91.48 118.26 30.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.15 159.88 40.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.717 ' HB2' HD11 ' A' ' 55' ' ' ILE . 17.6 ttt180 -117.68 109.26 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.9 p -50.56 132.96 25.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.1 mt -89.37 -30.02 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.162 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.42 -53.77 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.8 p -92.39 -54.52 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.1 5.88 11.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -70.81 176.74 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.5 p -156.06 139.85 16.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.476 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . -178.03 -135.05 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.441 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.411 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 18.4 m-85 -132.48 124.4 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.873 HD12 HG11 ' A' ' 81' ' ' VAL . 38.7 pt -121.18 138.08 27.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.72 115.19 3.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.327 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.559 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 17.4 t -52.38 -41.77 63.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -49.41 -17.8 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -102.96 -36.66 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.873 HG11 HD12 ' A' ' 76' ' ' ILE . 35.7 m -102.0 137.03 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.627 HG11 HD11 ' A' ' 33' ' ' LEU . 1.5 m -128.37 153.07 79.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.447 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.79 133.78 26.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.286 . . . . 0.0 112.315 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.69 -5.56 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -96.18 -41.65 8.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -108.5 25.06 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.454 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.93 103.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.179 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -78.62 -25.95 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.578 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -113.82 26.08 10.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.632 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.65 -28.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 89' ' ' ALA . 43.6 mt-10 -38.87 -31.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.697 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 35.2 p-90 -62.07 -47.37 84.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.697 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -77.48 -31.91 53.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.632 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.9 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.803 0.335 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.24 136.81 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.527 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.2 m-85 -138.24 142.86 39.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -118.57 146.85 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.83 114.11 26.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.631 HD11 ' CG1' ' A' ' 82' ' ' VAL . 8.7 mt -80.63 -34.37 35.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -116.55 147.96 41.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -77.39 124.46 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.582 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 87.9 t80 -126.76 163.92 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 35.7 tt0 -135.34 121.71 20.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB3' ' OG ' ' A' ' 45' ' ' SER . . . -52.57 106.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -60.33 -46.25 90.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.9 p -127.71 154.94 44.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.9 m -44.23 -26.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.75 -39.1 76.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -76.47 153.99 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.65 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -98.29 131.73 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.483 ' OG ' ' HB3' ' A' ' 38' ' ' ALA . 44.3 m -85.21 116.05 23.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.782 ' CD1' HG22 ' A' ' 76' ' ' ILE . 34.6 p90 -134.08 158.17 44.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -124.86 160.93 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -59.71 113.93 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.2 22.76 9.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 16.9 tt0 -116.52 135.96 53.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -90.25 159.41 16.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.672 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 55.4 m-85 -156.27 135.04 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -81.64 112.23 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.6 mm -65.91 108.85 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.733 HD11 ' HB2' ' A' ' 66' ' ' ARG . 26.3 mt -83.99 -56.28 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -126.33 127.13 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -119.2 41.12 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 59' ' ' GLU . 9.7 t -83.99 -43.28 15.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' N ' HG23 ' A' ' 58' ' ' THR . 18.7 mt-10 -89.52 101.88 14.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.03 50.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.2 -49.75 76.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.532 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 44.6 m95 -139.9 132.99 29.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.532 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.6 m0 -107.4 142.41 37.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -90.95 115.67 28.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.06 165.12 23.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.733 ' HB2' HD11 ' A' ' 55' ' ' ILE . 15.7 ttt85 -124.13 106.92 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -42.96 139.77 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.6 mt -94.68 -24.39 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.1 -59.91 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -81.75 -36.54 28.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.81 12.51 55.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -72.63 173.59 8.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.7 p -154.63 139.9 17.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.469 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 178.9 -134.83 2.42 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.449 ' H ' ' N ' ' A' ' 44' ' ' LEU . 20.7 m-85 -132.41 123.28 26.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.915 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.782 HG22 ' CD1' ' A' ' 46' ' ' PHE . 25.7 pt -116.48 140.14 26.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.532 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.0 Cg_endo -69.81 122.16 8.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.532 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 54.1 p -68.04 -2.77 8.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -91.07 -2.21 57.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.88 -34.79 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.574 HG21 HD12 ' A' ' 76' ' ' ILE . 34.2 m -102.07 140.84 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.179 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.631 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -130.35 153.07 81.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.527 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.82 134.1 27.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.47 -5.81 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -96.22 -41.74 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.08 23.97 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.2 103.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.78 -22.68 49.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -118.5 27.33 9.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.24 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 15.5 mt-10 -37.6 -32.24 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.668 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.0 p-90 -62.82 -46.16 89.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.668 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.61 -30.88 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.488 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.745 0.307 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.405 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 12.8 mm -76.9 145.35 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.537 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.6 m-85 -144.49 141.8 29.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -118.59 147.17 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.05 115.08 27.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.593 HD22 ' CD1' ' A' ' 92' ' ' TRP . 6.3 mt -81.48 -31.72 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -118.12 145.7 44.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.16 128.11 33.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 83.2 t80 -126.46 168.21 14.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 8.5 tt0 -135.02 118.92 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 110.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -64.27 -46.61 82.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 p -128.71 155.03 45.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -43.76 -29.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -67.99 -38.75 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -74.6 148.68 40.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.626 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -93.03 130.25 38.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 p -87.41 113.17 22.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.699 ' CD1' HG22 ' A' ' 76' ' ' ILE . 17.8 p90 -126.43 163.98 22.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -125.91 165.19 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -66.12 108.09 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.95 21.99 8.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 tp10 -112.45 142.3 45.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 22.3 mtt85 -94.98 160.01 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 39.8 m-85 -157.71 135.4 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -81.91 111.76 18.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.468 HG13 ' CD1' ' A' ' 30' ' ' PHE . 43.9 mm -66.61 106.04 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 66' ' ' ARG . 16.4 mt -82.48 -50.64 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -135.15 125.27 26.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.552 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 42.3 p30 -125.27 41.68 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.0 t -68.96 -45.2 71.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.474 ' N ' HG23 ' A' ' 58' ' ' THR . 9.7 pt-20 -107.57 122.23 46.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.9 -41.71 96.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -38.87 -52.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.336 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.544 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 58.1 m95 -147.18 133.38 19.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.586 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.9 m0 -111.34 141.0 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -87.68 115.54 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -132.28 159.37 39.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.649 ' HB2' HD11 ' A' ' 55' ' ' ILE . 12.9 ttt180 -120.1 105.95 11.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 m -43.74 139.63 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mt -94.75 -23.51 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.26 -63.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -80.34 -35.15 35.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.22 15.78 46.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -75.41 173.61 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.4 p -155.53 138.45 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.465 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.6 -133.12 1.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.503 ' H ' ' N ' ' A' ' 44' ' ' LEU . 21.6 m-85 -132.53 127.15 34.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.911 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.699 HG22 ' CD1' ' A' ' 46' ' ' PHE . 26.6 pt -121.81 140.21 31.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.544 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.3 Cg_endo -69.75 122.14 8.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.306 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.586 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 59.7 p -66.89 -4.45 9.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -88.67 -3.06 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.74 -34.06 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.595 HG21 HD12 ' A' ' 76' ' ' ILE . 35.8 m -102.3 146.59 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.36 153.17 72.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.0 Cg_endo -69.79 133.86 26.53 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -5.18 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.82 -41.74 8.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.2 23.56 14.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.454 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -33.62 103.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -78.04 -28.44 49.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -110.58 25.68 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.648 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.81 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 89' ' ' ALA . 49.6 mt-10 -39.15 -30.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.67 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 33.6 p-90 -62.33 -45.19 94.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.67 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.23 -32.19 38.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 11.2 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.736 0.303 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.8 mm -76.24 135.99 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.4 m-85 -138.57 143.95 39.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -118.73 147.45 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -90.74 111.45 22.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.758 HD11 ' CG1' ' A' ' 82' ' ' VAL . 9.8 mt -76.6 -33.75 58.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -118.32 154.76 31.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -85.82 123.35 31.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.575 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 81.9 t80 -122.52 168.17 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 12.5 tt0 -135.14 121.71 20.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.475 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.59 112.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -67.28 -46.97 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' ASP . 31.0 p -130.64 158.02 41.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.6 m -44.12 -32.51 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.188 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.15 -36.79 77.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' THR . 3.9 m-20 -74.22 147.44 42.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.758 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -99.05 125.67 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.475 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 36.5 t -84.69 143.48 29.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.71 ' CE1' HG22 ' A' ' 76' ' ' ILE . 6.2 p90 -154.72 166.7 32.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -126.85 160.08 32.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -60.7 113.08 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.97 28.77 6.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 tp10 -118.54 146.29 44.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.59 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 18.6 mtt85 -100.53 162.2 13.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 19.0 m-85 -160.7 134.99 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 68' ' ' ILE . 43.8 mt-30 -81.49 114.51 20.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.462 HD13 ' HB2' ' A' ' 65' ' ' ALA . 42.9 mm -67.85 106.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.0 mt -81.71 -49.61 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -129.49 133.25 47.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -127.7 36.5 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -84.34 -35.21 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -94.53 96.66 9.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -48.76 -40.5 25.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.507 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -54.65 -54.36 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.52 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 46.6 m95 -135.96 134.3 38.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 48.1 m0 -105.83 143.64 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -91.77 113.19 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.462 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -130.44 160.27 34.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.693 ' HB2' HD11 ' A' ' 55' ' ' ILE . 33.6 ttp180 -119.32 107.02 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.446 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 2.1 m -46.08 134.42 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.464 HD11 ' HG3' ' A' ' 53' ' ' GLN . 10.9 mt -90.98 -37.97 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.61 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.5 p -89.6 -56.74 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.62 21.05 2.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -76.18 175.08 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.0 p -156.23 142.8 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 174.97 -138.01 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.457 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 17.9 m-85 -131.33 113.97 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.758 HG23 ' HB3' ' A' ' 44' ' ' LEU . 22.5 pt -106.31 141.09 22.03 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.732 . . . . 0.0 111.156 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.52 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 120.52 7.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.593 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 66.8 p -66.55 -5.66 12.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -87.93 -2.08 58.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.73 -33.6 4.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 32' ' ' ALA . 27.9 m -102.22 141.65 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.758 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -130.33 153.0 81.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.549 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.84 133.42 25.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.316 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.57 -6.53 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -95.63 -41.75 8.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.52 25.57 11.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.438 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.24 103.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -77.06 -21.93 53.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.517 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -119.48 27.49 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.636 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.5 pt-20 -34.82 -31.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ALA . 44.3 mt-10 -37.15 -33.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.69 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.3 p-90 -62.63 -48.01 81.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.69 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -78.4 -31.11 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.757 0.313 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.1 mm -70.93 132.96 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.2 m-85 -135.56 143.48 45.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.0 t -117.74 147.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.87 110.15 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.058 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.652 HD11 ' CG1' ' A' ' 82' ' ' VAL . 10.0 mt -78.0 -33.8 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.49 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.3 m-85 -116.9 149.7 39.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.67 125.42 30.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.9 t80 -123.2 169.04 11.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.508 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 28.6 tt0 -137.7 118.38 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.62 106.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -64.83 -45.09 87.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 p -132.25 151.34 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -41.74 -27.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -66.07 -43.22 88.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -77.61 153.35 33.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.649 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -94.93 132.62 39.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.483 ' H ' HD23 ' A' ' 44' ' ' LEU . 3.3 p -86.87 115.65 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.718 ' CD1' HG22 ' A' ' 76' ' ' ILE . 22.4 p90 -131.01 173.09 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -138.94 163.36 32.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -61.63 116.72 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.19 28.1 8.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.491 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 19.0 tt0 -123.05 133.07 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 46.0 mtt180 -86.57 164.49 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.645 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 64.1 m-85 -160.22 135.44 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.55 114.02 20.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.09 110.48 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.75 HD11 ' HB2' ' A' ' 66' ' ' ARG . 21.2 mt -84.71 -52.73 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -131.7 129.5 40.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -120.57 42.72 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.3 t -87.82 -33.87 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -98.7 98.55 9.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.15 -44.13 42.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -51.44 -51.28 56.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.482 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 46.0 m95 -139.97 131.33 26.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.502 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.4 m0 -104.72 142.64 34.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -89.15 113.7 24.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.53 166.25 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.75 ' HB2' HD11 ' A' ' 55' ' ' ILE . 7.0 ttt180 -127.01 103.33 7.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.48 143.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.0 mt -93.43 -62.1 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.7 -64.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.1 p -76.78 -57.83 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.55 15.21 7.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -70.79 175.53 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.1 p -154.73 143.32 20.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.477 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.89 -140.93 5.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.485 ' H ' ' N ' ' A' ' 44' ' ' LEU . 23.4 m-85 -128.52 121.0 27.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.945 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.718 HG22 ' CD1' ' A' ' 46' ' ' PHE . 30.4 pt -112.24 140.35 23.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.538 ' HD2' ' CZ ' ' A' ' 46' ' ' PHE . 53.5 Cg_endo -69.75 116.85 4.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 80.4 p -63.81 -7.1 6.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -86.72 -1.42 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.49 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.2 m-85 -120.02 -34.2 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.499 HG21 HD12 ' A' ' 76' ' ' ILE . 33.1 m -102.09 138.81 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.652 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -127.55 152.88 77.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.542 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.76 131.77 21.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.98 -7.76 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.03 -41.81 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -109.68 28.8 8.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.46 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -40.36 103.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.48 -27.17 46.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -111.97 25.96 11.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.638 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.83 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 89' ' ' ALA . 13.7 mt-10 -38.96 -31.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.698 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 34.5 p-90 -62.05 -47.23 85.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.698 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -77.82 -31.97 51.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.638 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.9 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 61.48 49.95 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -97.17 125.82 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.62 -131.6 1.96 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -133.02 121.39 22.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.0 p -70.65 155.59 40.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.32 70.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.64 93.84 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.5 t -60.69 87.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 p -170.52 144.81 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.7 p -136.42 115.56 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.05 130.34 56.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -83.93 111.2 19.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.52 138.11 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.144 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.49 132.99 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -70.57 108.91 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -90.94 102.12 14.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -57.09 150.56 16.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -74.2 151.5 88.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.669 0.747 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 138.5 38.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 p -93.65 178.2 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.94 55.3 18.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.4 mt -84.07 131.44 34.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -144.73 109.99 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.4 -166.94 39.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.67 53.07 0.84 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.486 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -116.03 147.59 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.887 0.375 . . . . 0.0 111.092 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m -123.23 139.32 54.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 29' ' ' ILE . 11.6 mm -77.93 136.89 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.518 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.9 m-85 -139.43 142.89 37.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.03 144.46 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -92.21 116.54 29.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.588 HD22 ' CD1' ' A' ' 92' ' ' TRP . 5.0 mt -83.96 -31.61 25.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.545 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 2.8 m-85 -115.68 141.51 47.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.72 120.33 20.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.586 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 87.9 t80 -117.78 168.86 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 7.8 tt0 -135.1 120.31 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.06 111.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -66.54 -47.08 74.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.1 p -131.43 158.98 39.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.424 ' H ' HG23 ' A' ' 41' ' ' THR . 1.5 p -44.24 -36.06 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -62.64 -37.96 88.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.28 154.88 38.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.592 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -101.57 129.32 47.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.45 ' O ' ' NZ ' ' A' ' 72' ' ' LYS . 89.1 p -84.18 114.38 21.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.696 ' CD1' HG22 ' A' ' 76' ' ' ILE . 41.4 p90 -132.61 161.93 32.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 37.4 mmtm -129.13 166.19 19.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.65 109.22 1.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.85 23.82 6.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 32.9 tt0 -117.07 137.85 52.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 mtt85 -93.01 158.17 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.593 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 37.6 m-85 -156.19 138.2 14.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.04 111.39 18.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.414 HG13 ' CD1' ' A' ' 30' ' ' PHE . 44.1 mm -67.3 106.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.688 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.8 mt -83.38 -48.72 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -132.93 126.54 32.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.548 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 4.4 p30 -127.79 45.02 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 59' ' ' GLU . 9.1 t -74.59 -51.04 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.573 ' N ' HG23 ' A' ' 58' ' ' THR . 6.4 pt-20 -101.74 119.11 38.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' HA2' ' NE1' ' A' ' 63' ' ' TRP . . . -55.29 -39.48 72.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.94 -58.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 41.9 m95 -143.3 131.34 21.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 40.3 m0 -108.88 142.74 39.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -87.74 118.69 27.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -133.69 162.56 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.688 ' HB2' HD11 ' A' ' 55' ' ' ILE . 10.9 ttt85 -124.85 103.36 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 m -41.26 140.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mt -93.41 -29.24 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.02 -68.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.3 p -75.52 -34.55 60.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.29 17.62 42.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 45' ' ' SER . 9.3 mtmp? -75.29 173.93 10.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.6 p -156.12 138.96 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.9 -134.75 2.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.441 ' H ' ' N ' ' A' ' 44' ' ' LEU . 27.0 m-85 -132.18 129.68 40.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.696 HG22 ' CD1' ' A' ' 46' ' ' PHE . 41.4 pt -125.47 140.99 37.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.82 124.03 10.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.573 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 91.7 p -68.95 -3.11 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -90.18 -3.02 58.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.545 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.3 m-85 -117.99 -34.18 4.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.8 143.84 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.45 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -133.91 152.89 79.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.613 0.72 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.518 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.8 134.73 28.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -5.62 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -96.84 -41.62 8.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.37 25.72 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.451 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -35.51 103.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -77.45 -18.51 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -121.04 25.77 9.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.1 pt-20 -35.43 -30.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 46.4 mt-10 -38.34 -32.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.671 ' CZ3' ' CB ' ' A' ' 93' ' ' TYR . 27.7 p-90 -62.74 -45.1 94.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.671 ' CB ' ' CZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.66 -31.29 32.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.523 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.7 m-85 -61.28 -48.1 82.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.81 -45.97 2.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -103.42 82.52 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.748 0.309 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.9 ptm -64.51 -6.91 8.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 51.6 -96.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -146.88 127.69 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -171.19 168.99 6.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.75 158.6 17.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.49 139.5 35.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -81.64 82.94 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.6 p -89.08 124.32 34.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 152.91 83.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -21.99 33.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.399 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.3 m -52.69 -56.3 16.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m -47.51 109.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -100.37 -47.97 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.919 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m 41.41 42.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.91 130.43 9.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -101.98 -56.34 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -97.85 152.77 18.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.55 -168.2 39.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.04 140.46 46.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -89.68 42.83 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.1 p -163.86 118.05 1.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 13.8 m -149.28 140.22 22.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 11' ' ' SER . 37.6 m-85 -144.44 135.02 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.3 p -157.71 -178.84 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.24 138.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 16' ' ' SER . 7.7 p -68.23 -47.2 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.501 ' N ' HG13 ' A' ' 15' ' ' VAL . 2.4 m -101.29 175.92 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -118.73 44.43 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -116.8 172.11 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.417 ' CD2' HD11 ' A' ' 23' ' ' LEU . 9.0 p90 -130.76 153.39 81.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.679 0.752 . . . . 0.0 110.955 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 21' ' ' THR . 53.4 Cg_endo -69.82 94.66 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' PRO . 9.9 t -37.16 150.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.71 105.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 19' ' ' TYR . 5.7 mp -126.55 174.31 8.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.0 p -129.76 -48.54 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.28 152.05 9.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.55 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.53 -73.73 0.28 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -118.35 140.8 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -122.15 131.35 53.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.9 mm -73.77 138.07 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.0 m-85 -139.02 143.27 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.31 145.77 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.432 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -91.86 120.27 32.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.586 HD22 ' CD1' ' A' ' 92' ' ' TRP . 8.5 mt -87.37 -33.14 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -116.29 149.32 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -79.0 122.96 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.586 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 90.1 t80 -125.47 165.22 18.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 11.4 tp10 -137.45 120.9 17.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HB2' ' C ' ' A' ' 44' ' ' LEU . . . -51.77 106.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -59.15 -45.81 89.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.3 p -128.77 155.98 44.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 t -43.87 -28.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -67.79 -39.39 84.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -74.44 161.2 30.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.637 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -106.3 132.02 52.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.448 ' H ' HD23 ' A' ' 44' ' ' LEU . 62.8 m -84.24 118.6 24.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.768 ' CD1' HG22 ' A' ' 76' ' ' ILE . 41.2 p90 -138.82 154.69 48.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 63.8 mmtt -120.81 168.7 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.02 110.91 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.34 24.1 7.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 19.1 tt0 -116.31 136.99 52.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -92.45 154.74 18.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 42.9 m-85 -152.09 136.37 16.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -81.86 113.87 20.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.412 HG13 ' CD1' ' A' ' 30' ' ' PHE . 45.9 mm -68.3 109.46 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.658 HD11 ' HB2' ' A' ' 66' ' ' ARG . 21.8 mt -85.97 -54.87 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -125.14 125.89 44.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -120.32 46.26 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 t -91.15 -42.9 10.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -87.74 98.98 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.4 -32.01 29.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.52 -51.75 61.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.504 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 49.2 m95 -138.15 129.5 27.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.8 m0 -104.79 145.96 29.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -92.72 117.43 29.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.4 162.78 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.658 ' HB2' HD11 ' A' ' 55' ' ' ILE . 33.5 ttp180 -122.11 105.89 10.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.46 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 3.7 m -44.46 136.23 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.8 mt -88.68 -42.55 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.59 -64.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -75.87 -56.81 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.13 15.9 7.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -78.27 176.67 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 p -154.48 141.2 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.479 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.32 -136.88 2.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -132.53 120.41 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.768 HG22 ' CD1' ' A' ' 46' ' ' PHE . 28.4 pt -112.7 141.17 24.89 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.72 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 46' ' ' PHE . 53.7 Cg_endo -69.81 123.96 10.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.372 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 40.8 p -69.85 -1.78 10.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -92.17 -2.09 56.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -118.71 -33.71 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.517 HG21 HD12 ' A' ' 76' ' ' ILE . 30.6 m -102.85 148.05 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.1 153.0 74.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.8 133.06 24.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.37 -6.77 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -95.07 -41.71 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -109.25 26.11 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.443 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -36.6 103.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -77.89 -22.11 50.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -118.82 27.02 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.642 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.29 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 89' ' ' ALA . 28.0 mt-10 -37.57 -32.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.675 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.4 p-90 -62.94 -46.03 89.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.675 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.59 -31.31 36.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.49 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.0 m-85 -61.14 -50.92 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.95 -46.2 4.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.478 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -92.16 49.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 37.9 ttm -69.65 157.28 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.74 -141.71 7.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 101' ' ' ASP . 21.2 mtp85 -74.67 -31.69 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 99' ' ' ARG . 0.6 OUTLIER 31.27 38.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' ARG . 22.8 t70 -64.98 88.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.26 83.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 104' ' ' SER . 7.4 pt-20 -61.51 106.25 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 103' ' ' GLU . 3.8 m 35.78 49.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -82.99 145.81 23.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 151.04 68.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.9 m -153.07 144.95 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.2 t -91.51 -55.42 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 p -149.06 172.25 15.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.2 p -137.67 175.87 9.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.29 164.78 33.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -154.98 123.31 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -170.1 133.5 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.63 160.17 10.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.24 149.82 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 111.077 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -148.51 134.79 19.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.437 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 39.4 m -81.65 41.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' SER . 96.9 p 34.73 40.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CD2' ' O ' ' A' ' 10' ' ' SER . 13.2 m-85 -131.28 84.72 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 t -166.79 136.54 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 15' ' ' VAL . 18.9 m -117.68 138.51 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 14' ' ' VAL . 7.0 m -159.47 133.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.2 p -42.85 141.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 m -86.14 -38.92 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -116.03 120.46 39.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -71.42 150.54 93.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.746 . . . . 0.0 110.939 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.616 ' O ' HD11 ' A' ' 23' ' ' LEU . 53.9 Cg_endo -69.72 166.79 26.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.27 . . . . 0.0 112.379 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.7 p -99.56 153.12 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.39 86.38 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.616 HD11 ' O ' ' A' ' 20' ' ' PRO . 5.2 mp -118.33 103.38 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.4 m -144.74 139.42 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.54 -162.06 32.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.448 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.25 -37.27 11.27 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.6 t -93.39 140.94 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m -104.48 130.71 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' HA ' HD13 ' A' ' 29' ' ' ILE . 13.3 mm -73.09 138.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.537 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.6 m-85 -139.39 143.37 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.67 146.56 24.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.55 113.94 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.597 HD11 ' CG1' ' A' ' 82' ' ' VAL . 6.1 mt -80.22 -35.16 36.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -113.85 149.34 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -80.17 118.3 21.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 91.2 t80 -115.11 165.06 13.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 4.8 tt0 -135.29 118.65 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.87 121.45 6.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -75.98 -42.95 46.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 p -129.85 -174.81 3.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 m -64.13 -45.56 87.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -60.89 -25.95 67.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -78.4 139.3 38.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.551 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -93.52 130.44 39.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.0 p -85.82 116.19 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.71 ' CD1' HG22 ' A' ' 76' ' ' ILE . 36.2 p90 -135.56 159.35 41.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -128.52 166.52 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 33' ' ' LEU . 48.7 tttm -63.23 115.2 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.73 24.16 8.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.476 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 12.6 tt0 -119.0 137.22 53.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 18.2 mtt85 -92.85 162.01 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.618 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 48.2 m-85 -158.47 135.2 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -81.62 113.3 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.412 HD13 ' HB2' ' A' ' 65' ' ' ALA . 46.7 mm -66.63 105.02 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.712 HD11 ' HB2' ' A' ' 66' ' ' ARG . 15.8 mt -81.36 -48.7 18.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -134.67 131.14 37.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -123.66 42.92 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 59' ' ' GLU . 9.7 t -84.26 -43.32 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 58' ' ' THR . 5.4 mm-40 -87.68 102.22 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.4 -43.38 51.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -53.87 -54.19 42.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.513 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 31.3 m95 -134.81 137.58 43.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.423 ' CH2' ' OG ' ' A' ' 78' ' ' SER . 45.6 m0 -110.25 151.61 27.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.41 118.07 33.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.412 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -135.15 164.83 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.712 ' HB2' HD11 ' A' ' 55' ' ' ILE . 7.7 ttt180 -124.78 105.9 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.61 138.41 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.8 mt -93.29 -30.53 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.22 -63.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.3 p -80.12 -45.26 18.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.24 31.56 4.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -94.9 176.34 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.3 p -154.26 142.28 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.33 -135.76 2.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -132.8 119.95 20.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.71 HG22 ' CD1' ' A' ' 46' ' ' PHE . 34.0 pt -114.47 141.26 26.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.513 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.78 122.84 9.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.423 ' OG ' ' CH2' ' A' ' 63' ' ' TRP . 29.0 t -68.56 -2.23 8.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -91.48 -2.32 57.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.92 -33.96 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.434 HG21 HD12 ' A' ' 76' ' ' ILE . 33.5 m -102.33 140.43 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.597 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -129.45 152.57 79.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.0 Cg_endo -69.73 134.34 27.8 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.99 -6.35 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.09 -42.06 8.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.17 26.2 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.438 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 1.0 OUTLIER -35.9 103.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.18 -19.84 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.55 26.37 9.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.638 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.6 pt-20 -34.98 -31.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 89' ' ' ALA . 44.6 mt-10 -37.07 -32.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.673 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.3 p-90 -63.13 -46.22 88.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.673 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.72 -31.17 36.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.65 -46.75 88.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.45 -49.83 1.95 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -94.72 107.47 19.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.8 mtm -109.39 -56.42 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.64 -87.96 0.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -139.27 162.63 34.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -100.16 125.26 46.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -126.99 174.98 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.14 105.72 15.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' C ' ' OE1' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -174.28 108.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 75.5 p -150.87 138.13 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -110.63 83.09 0.31 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 104.4 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.362 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.0 t -155.83 152.39 28.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -93.29 151.61 19.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.1 p -125.46 83.65 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.892 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -142.0 108.13 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.29 71.1 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -60.58 143.77 53.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -99.27 -51.15 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.05 -163.31 12.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.8 104.45 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -107.37 41.82 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.809 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.9 p -143.14 177.99 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.7 t -105.13 155.11 19.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.499 ' CD2' ' HB2' ' A' ' 13' ' ' SER . 48.0 p90 -43.54 -47.02 7.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.499 ' HB2' ' CD2' ' A' ' 12' ' ' PHE . 4.6 t -118.39 -59.53 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.9 m -145.13 143.42 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.39 136.5 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.6 p -84.58 99.33 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 m -127.68 91.2 3.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.0 m -115.74 83.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -134.3 151.78 76.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.717 0.77 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.497 ' HG2' HD11 ' A' ' 23' ' ' LEU . 53.8 Cg_endo -69.76 -176.73 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 p -106.68 125.5 51.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.64 86.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.497 HD11 ' HG2' ' A' ' 20' ' ' PRO . 6.0 mp -105.41 165.67 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p -77.08 177.18 8.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.46 -140.7 14.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.67 73.01 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.1 t -111.11 136.02 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 111.108 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 m -125.97 136.29 52.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 29' ' ' ILE . 13.2 mm -77.86 138.75 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.3 m-85 -140.98 142.53 34.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.06 146.19 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -92.1 110.6 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 92' ' ' TRP . 14.0 mt -74.22 -33.11 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -118.99 148.15 43.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.38 117.27 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 64.7 t80 -114.33 162.4 16.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 14.9 tt0 -130.99 121.5 25.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.449 ' CB ' ' HB3' ' A' ' 45' ' ' SER . . . -51.41 122.77 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -78.11 -37.37 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.2 p -133.35 -174.74 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -71.87 -32.22 67.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.95 -20.82 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.27 140.87 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.619 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -90.49 126.86 36.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 55.3 p -89.13 112.68 23.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.637 ' CD1' HG22 ' A' ' 76' ' ' ILE . 7.1 p90 -122.39 168.77 11.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -128.79 164.46 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -64.66 114.94 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.01 21.82 17.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.7 tp10 -111.93 140.69 46.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 33.9 mtt180 -95.5 163.3 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 30.8 m-85 -160.55 136.61 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.58 111.69 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' A' ' 65' ' ' ALA . 52.2 mm -66.03 104.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 66' ' ' ARG . 17.7 mt -80.18 -45.75 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -142.77 129.46 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.408 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 26.4 p30 -122.57 42.76 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 59' ' ' GLU . 5.6 t -79.31 -42.6 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 58' ' ' THR . 28.1 mt-10 -87.69 101.84 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.01 -36.92 28.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -60.11 -51.24 70.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.826 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.527 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 26.6 m95 -139.49 137.98 35.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.457 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 44.0 m0 -111.5 148.34 33.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.5 116.05 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.532 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -135.59 159.45 41.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.553 ' HB2' HD11 ' A' ' 55' ' ' ILE . 43.1 ttp180 -122.3 106.74 11.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -46.24 139.36 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.1 mt -94.1 -21.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.36 -61.73 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 p -83.13 -28.6 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.47 10.8 67.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -70.86 172.06 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.416 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 36.0 p -153.23 144.43 23.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.484 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 170.76 -140.03 5.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 27.2 m-85 -125.99 127.45 45.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.948 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.637 HG22 ' CD1' ' A' ' 46' ' ' PHE . 35.4 pt -120.78 139.56 29.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.527 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.75 125.2 11.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.457 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 84.5 p -69.22 -10.65 58.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -83.06 -1.63 53.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -120.22 -36.01 3.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 HD12 ' A' ' 76' ' ' ILE . 26.8 m -102.21 140.54 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -130.83 153.06 81.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.717 . . . . 0.0 111.195 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.498 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.74 134.67 28.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.5 -5.0 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -96.91 -41.74 8.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.22 23.16 14.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.13 103.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.078 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -78.1 -20.63 51.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.29 26.86 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.638 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.2 pt-20 -35.28 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 42.2 mt-10 -37.54 -33.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.683 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.8 p-90 -61.44 -46.26 90.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.683 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.05 -31.91 39.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.55 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 10.1 m-85 -60.21 -46.19 90.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.88 -50.82 1.33 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.511 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -95.07 91.84 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.308 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 49.7 mtp -93.72 170.35 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.16 114.4 0.92 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.446 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -80.57 94.07 6.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.19 126.76 27.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.56 107.93 14.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -40.97 103.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -87.18 84.86 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.6 p -115.71 122.98 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.42 -158.45 19.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 99.22 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.6 m -63.25 144.22 57.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.9 p -95.88 55.79 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -173.9 163.58 4.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.8 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -173.75 170.16 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.24 159.89 30.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -169.23 172.05 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -117.51 167.55 11.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.97 134.07 11.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.95 141.79 47.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 p -158.03 128.86 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 m -106.39 174.08 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.5 p -106.24 -51.73 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 62.93 33.74 14.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.6 p -61.36 83.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.0 t -130.23 110.14 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -146.08 151.53 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -79.66 155.9 27.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 t -67.57 -62.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -173.91 175.96 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -155.83 151.57 22.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.697 0.76 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 154.75 67.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.3 p -99.0 39.07 1.3 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.64 37.55 2.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.6 mm? -87.38 40.24 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.1 m -125.96 112.64 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.51 104.93 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.94 -79.67 0.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t -121.32 143.56 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.123 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 m -104.79 133.36 49.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 29' ' ' ILE . 10.0 mm -74.4 137.4 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.9 m-85 -139.02 143.05 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -117.93 145.27 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.86 116.5 27.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.046 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 92' ' ' TRP . 9.9 mt -82.89 -34.25 26.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.532 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.4 m-85 -117.49 150.67 38.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -81.37 121.17 25.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 90.8 t80 -121.63 150.43 41.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -118.81 121.03 39.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.81 106.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -60.99 -46.77 89.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 43' ' ' ASP . 21.2 p -131.37 153.05 50.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -42.22 -26.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -69.67 -41.46 75.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' THR . 2.7 m-20 -73.52 155.07 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.564 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -96.6 131.25 43.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.517 ' N ' HD23 ' A' ' 44' ' ' LEU . 45.7 p -87.48 114.48 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.672 ' CD1' HG22 ' A' ' 76' ' ' ILE . 25.9 p90 -134.51 159.77 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -127.41 161.08 29.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -58.24 119.27 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.85 21.37 18.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.95 134.87 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.83 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 71.3 mtt180 -92.38 164.78 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 42.5 m-85 -160.15 144.74 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -88.4 111.5 21.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 mm -66.12 105.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 66' ' ' ARG . 11.9 mt -81.77 -45.67 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -140.83 128.89 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.569 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 24.8 p30 -126.56 42.86 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.529 HG23 ' N ' ' A' ' 59' ' ' GLU . 6.9 t -68.61 -49.76 56.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.529 ' N ' HG23 ' A' ' 58' ' ' THR . 11.6 pt-20 -105.65 122.0 45.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' ASP . . . -56.78 -45.2 91.44 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' GLY . 10.8 m-20 -35.29 -52.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 34.5 m95 -148.45 133.47 18.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.4 m0 -110.29 141.46 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -85.89 114.18 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.34 165.26 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.663 ' HB2' HD11 ' A' ' 55' ' ' ILE . 25.5 ttm-85 -128.91 106.69 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -39.15 142.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mt -96.68 -29.56 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.88 -60.82 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.7 p -78.23 -48.34 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.18 11.46 23.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -71.12 175.94 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.439 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 35.2 p -155.63 144.18 20.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.489 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.6 -143.76 7.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.438 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 30.2 m-85 -128.12 117.72 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.947 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.672 HG22 ' CD1' ' A' ' 46' ' ' PHE . 43.4 pt -111.89 139.96 22.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.82 123.02 9.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 53.1 p -66.66 -4.7 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -85.22 -15.88 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.532 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.4 m-85 -105.89 -32.65 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.523 HG11 HD12 ' A' ' 76' ' ' ILE . 34.8 m -102.25 150.87 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -140.69 152.99 67.44 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.632 0.73 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.79 133.38 25.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.53 -6.5 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -95.76 -41.8 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.4 25.64 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.436 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.36 103.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -77.6 -20.95 53.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -119.89 26.86 9.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.635 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -34.97 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ALA . 27.1 mt-10 -37.39 -31.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.669 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 28.4 p-90 -64.0 -45.79 87.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.669 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.97 -30.97 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -62.09 -50.79 70.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.79 -45.41 4.24 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -97.94 114.53 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 98' ' ' GLY . 28.7 mtm -39.42 -65.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 97' ' ' MET . . . 36.35 39.9 0.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -77.33 -175.79 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -134.49 103.97 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.53 107.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -174.28 172.51 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -76.54 145.37 39.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.0 p -88.5 -47.76 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.49 80.52 1.37 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 125.04 11.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 m -132.24 135.7 46.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -109.3 142.84 39.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.439 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -127.09 129.67 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.813 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 m -146.87 164.63 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.71 -154.91 9.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -93.95 167.03 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -96.59 -57.44 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.94 59.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.433 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.09 104.83 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.1 p -167.98 135.65 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 m -148.99 168.4 23.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.805 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 t -127.28 -54.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -115.16 91.64 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.7 m -106.71 157.53 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 15' ' ' VAL . 28.3 m -107.39 -41.12 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.44 ' N ' HG23 ' A' ' 14' ' ' VAL . 24.3 m 36.4 38.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 t -137.43 146.32 44.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -116.9 116.99 28.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.0 p -96.15 98.38 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -157.87 145.3 13.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' THR . 53.5 Cg_endo -69.77 86.84 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' PRO . 5.2 t -34.05 146.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.85 34.79 1.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.51 110.2 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.6 m -154.2 132.66 12.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.49 96.15 0.63 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.15 -45.37 3.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.1 t -95.83 142.82 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 111.081 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m -118.67 140.38 50.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 29' ' ' ILE . 12.2 mm -77.78 137.06 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.3 m-85 -139.9 144.34 37.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -118.96 147.59 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.21 114.07 26.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.594 HD22 ' CD1' ' A' ' 92' ' ' TRP . 9.6 mt -76.22 -37.1 58.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.9 154.89 27.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.02 114.56 23.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 78.6 t80 -114.33 166.81 11.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.501 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 28.2 tt0 -133.71 123.24 24.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.96 114.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -61.96 -44.0 97.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 p -137.26 -178.44 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.3 t -62.71 -19.8 64.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' ' CD2' ' A' ' 75' ' ' TYR . 4.6 pt-20 -80.9 -29.86 35.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -84.33 149.46 26.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.584 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -97.39 129.61 44.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.458 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 3.7 m -87.52 114.21 23.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.68 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 22.4 p90 -128.7 151.24 49.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -111.63 160.9 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -62.08 112.82 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.65 20.38 13.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 5.0 tp10 -111.43 138.25 48.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 43.6 mtt180 -90.84 163.61 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 48.8 m-85 -159.85 136.91 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' HG3' HD11 ' A' ' 68' ' ' ILE . 53.4 mt-30 -82.35 111.71 18.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.414 HD13 ' HB2' ' A' ' 65' ' ' ALA . 46.0 mm -67.23 106.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.3 mt -82.57 -46.36 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -140.27 126.44 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.554 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 25.5 p30 -127.68 46.75 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.6 t -73.71 -45.65 50.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.484 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 12.9 pt-20 -105.49 120.63 42.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' ASP . . . -55.15 -41.77 79.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' GLY . 19.2 m-20 -38.11 -59.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 36.4 m95 -143.41 133.46 24.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 44.0 m0 -111.16 137.55 48.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.18 122.4 27.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.414 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -139.93 161.75 36.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' A' ' 55' ' ' ILE . 27.8 ttm180 -124.06 108.45 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.1 t -45.1 134.83 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.813 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.431 HD11 ' HG3' ' A' ' 53' ' ' GLN . 9.9 mt -89.12 -33.85 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.57 -63.2 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.1 p -77.83 -52.51 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.77 13.23 11.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -74.6 176.58 6.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 p -154.23 145.16 22.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.482 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 172.44 -145.37 8.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 24.9 m-85 -126.17 122.66 36.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.677 HG22 ' CD1' ' A' ' 46' ' ' PHE . 37.6 pt -114.58 142.07 27.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 123.76 10.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.334 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 14.9 p -68.52 -3.72 12.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -89.62 -2.72 58.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -119.23 -32.52 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.61 HG11 HD12 ' A' ' 76' ' ' ILE . 31.2 m -102.25 152.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -144.03 152.96 56.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.606 0.717 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.8 133.89 26.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.6 -5.77 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -96.13 -41.75 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.57 25.12 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.439 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.82 103.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -77.38 -25.18 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -116.08 27.51 9.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.637 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.07 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 3.7 mm-40 -37.78 -32.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.665 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.0 p-90 -63.12 -45.77 90.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.665 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.06 -31.14 34.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.903 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.3 m-85 -61.48 -51.01 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.6 -44.34 4.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -106.94 85.96 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.8 ttp -101.25 119.64 39.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.65 -80.75 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 99' ' ' ARG . 16.7 ttp-105 -167.62 119.23 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -171.53 153.72 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -128.46 123.95 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.07 167.07 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -172.29 153.79 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.4 p -125.34 151.64 45.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -146.11 84.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.59 4.63 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.731 2.288 . . . . 0.0 112.324 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.1 t -161.04 139.27 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 t -87.16 -56.46 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t 57.26 42.21 25.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.832 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -93.99 103.12 15.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.53 -97.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -81.64 153.15 26.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 p -80.34 98.79 7.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.79 66.9 1.37 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.13 127.99 52.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -129.69 155.47 45.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.5 m -141.51 163.64 32.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 m -144.06 169.73 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -63.44 131.19 47.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 t -70.37 -48.07 57.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -132.28 93.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -89.18 138.19 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -139.28 165.27 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -125.09 -65.26 1.03 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.9 p -124.61 154.9 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -157.77 148.37 16.06 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.69 0.757 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.91 ' HB2' HD21 ' A' ' 23' ' ' LEU . 53.3 Cg_endo -69.79 109.86 2.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.294 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -93.61 169.17 10.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.81 28.21 73.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.91 HD21 ' HB2' ' A' ' 20' ' ' PRO . 68.8 mt -65.82 -19.23 65.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.907 0.384 . . . . 0.0 110.93 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 p -44.3 -70.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.25 -106.14 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.08 -41.38 22.38 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -101.96 140.22 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.953 0.406 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -98.22 127.24 44.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 29' ' ' ILE . 10.5 mm -72.01 137.36 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.5 m-85 -139.08 145.07 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.37 146.46 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -90.19 112.67 24.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.693 HD11 ' CG1' ' A' ' 82' ' ' VAL . 11.2 mt -77.09 -36.3 55.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.431 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.2 m-85 -116.12 150.7 36.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.13 114.46 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.581 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 85.3 t80 -110.42 168.96 9.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.513 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 20.3 tt0 -135.18 118.26 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.64 117.75 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.2 mtt-85 -65.15 -44.51 88.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 p -138.09 -176.15 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 42' ' ' GLU . 9.7 t -57.98 -43.8 86.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 41' ' ' THR . 4.6 pt-20 -60.41 -34.03 73.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -73.74 143.68 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.564 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -95.01 124.65 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.432 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 60.0 p -83.23 113.49 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.708 ' CD1' HG22 ' A' ' 76' ' ' ILE . 45.6 p90 -130.76 161.18 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 64.4 mmtt -129.83 166.48 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -62.56 117.94 6.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.34 15.71 31.78 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 6.9 tt0 -110.1 135.9 50.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.514 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 49.4 mtt180 -93.9 163.83 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 38.3 m-85 -160.01 136.54 8.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.542 ' HG3' HD11 ' A' ' 68' ' ' ILE . 53.5 mt-30 -81.77 113.54 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.439 HD13 ' HB2' ' A' ' 65' ' ' ALA . 46.7 mm -67.11 105.43 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.642 HD11 ' HB2' ' A' ' 66' ' ' ARG . 12.0 mt -80.77 -49.56 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -136.63 126.39 25.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -122.77 45.06 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.4 t -81.42 -42.0 21.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 58' ' ' THR . 27.3 mt-10 -95.3 108.11 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.82 -46.22 54.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -44.27 -59.32 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 40.6 m95 -133.33 140.8 47.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.455 ' CH2' ' OG ' ' A' ' 78' ' ' SER . 44.5 m0 -114.22 144.78 42.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -91.88 118.42 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.439 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -136.26 164.15 28.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.642 ' HB2' HD11 ' A' ' 55' ' ' ILE . 19.1 ttp-105 -123.58 104.1 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -42.95 138.03 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.542 HD11 ' HG3' ' A' ' 53' ' ' GLN . 6.1 mt -97.32 -25.17 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.67 -48.73 30.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.085 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.2 p -100.58 -42.53 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.33 14.24 18.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -73.55 176.61 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.6 p -155.34 140.57 17.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.471 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 178.05 -145.34 6.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -127.42 117.36 22.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.708 HG22 ' CD1' ' A' ' 46' ' ' PHE . 37.5 pt -110.41 142.23 25.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.66 0.743 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.73 125.74 12.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.455 ' OG ' ' CH2' ' A' ' 63' ' ' TRP . 32.2 t -69.87 -4.94 22.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -88.48 -2.67 58.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.431 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 4.3 m-85 -119.3 -32.34 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.593 HG11 HD12 ' A' ' 76' ' ' ILE . 30.4 m -102.27 147.82 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.693 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -138.29 152.83 72.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.558 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.7 Cg_endo -69.79 134.82 28.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.42 -5.03 4.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.01 -41.64 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -108.38 23.44 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.5 103.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -77.34 -23.59 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -117.81 27.44 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.637 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.1 pt-20 -34.77 -31.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 4.5 mp0 -37.2 -33.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.678 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.1 p-90 -61.9 -46.63 88.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.678 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.93 -31.58 40.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.451 ' CD2' ' HB2' ' A' ' 90' ' ' GLU . 8.1 m-85 -61.19 -46.14 91.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -85.09 -38.48 9.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 95' ' ' GLY . 1.3 ttpm? -34.31 -54.63 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.7 ttp -95.18 139.74 31.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.64 149.27 7.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -97.44 80.29 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -167.33 159.85 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.6 110.05 20.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.41 41.2 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -95.47 91.04 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.5 t -161.75 168.8 22.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 94.22 146.22 19.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.442 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.47 21.15 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -45.81 -52.02 11.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.7 t -161.71 125.52 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -173.96 177.62 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -174.17 177.23 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.04 178.24 40.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -161.94 176.73 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 t -114.55 -63.72 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.89 159.62 35.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.42 120.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 p -166.53 177.52 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.7 m 62.16 50.99 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.7 p -148.66 155.78 41.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 13' ' ' SER . 21.0 t80 74.62 43.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' PHE . 29.0 m -38.22 146.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -164.66 143.43 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 15' ' ' VAL . 35.9 m -36.48 116.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.4 t -166.04 177.86 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' SER . 14.5 t -36.4 -61.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -73.86 128.04 34.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -98.5 148.2 34.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.683 0.754 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.32 68.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 p -92.76 108.42 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.48 67.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.3 mp -102.79 116.33 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 110.898 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 50.8 m -62.28 88.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.36 72.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.5 -58.04 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.18 141.34 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 m -111.31 137.18 49.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' A' ' 29' ' ' ILE . 12.2 mm -78.13 138.28 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.477 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.3 m-85 -140.63 143.88 35.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.49 146.3 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.92 115.34 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.605 HD11 ' CG1' ' A' ' 82' ' ' VAL . 9.5 mt -79.55 -36.94 37.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -115.04 152.51 32.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -81.05 128.46 33.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.9 t80 -124.69 168.86 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.519 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 2.0 tp10 -136.04 121.77 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.01 111.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 39' ' ' ARG . 16.9 mtm105 -63.31 -42.07 99.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.0 p -138.88 -175.02 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -64.14 -33.3 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -71.29 -23.82 62.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -84.92 144.06 28.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.576 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -94.66 129.95 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.9 p -86.84 114.19 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.716 ' CD1' HG22 ' A' ' 76' ' ' ILE . 30.2 p90 -130.05 168.27 17.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -134.17 160.47 37.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -61.48 112.35 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.91 18.18 11.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.7 tt0 -113.5 140.41 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 57.5 mtt180 -96.28 161.32 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.558 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 32.7 m-85 -157.82 141.4 15.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -85.63 110.19 19.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.1 mm -64.25 106.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.734 HD11 ' HB2' ' A' ' 66' ' ' ARG . 16.6 mt -83.12 -48.15 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -136.01 130.53 33.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -123.62 42.16 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 59' ' ' GLU . 10.0 t -83.06 -44.27 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' N ' HG23 ' A' ' 58' ' ' THR . 14.8 mt-10 -84.43 100.02 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.79 -36.4 26.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.99 -55.56 31.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.541 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 35.8 m95 -132.87 135.69 45.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 49.9 m0 -108.47 144.17 36.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -90.39 121.97 32.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.76 160.37 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.734 ' HB2' HD11 ' A' ' 55' ' ' ILE . 10.7 ttt180 -121.53 106.07 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.4 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 1.3 m -45.13 142.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.4 mt -93.86 -32.37 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.26 -56.45 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.2 p -80.59 -24.64 38.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.98 13.02 83.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -71.64 175.65 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 p -157.0 141.44 16.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 170.88 -136.47 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -131.84 128.47 38.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.716 HG22 ' CD1' ' A' ' 46' ' ' PHE . 35.7 pt -120.7 142.77 34.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 111.101 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.541 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.72 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.2 p -64.67 -6.22 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -87.21 -2.16 58.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -119.26 -30.96 4.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.491 HG11 HD12 ' A' ' 76' ' ' ILE . 30.9 m -104.5 141.71 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.605 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -131.48 152.84 81.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 111.176 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.477 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.74 133.94 26.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.316 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -5.64 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -96.25 -41.67 8.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.63 23.72 14.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.7 103.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.04 -25.0 52.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -116.87 28.24 8.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.637 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.9 pt-20 -35.24 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ALA . 28.1 mt-10 -37.78 -33.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.683 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 28.4 p-90 -62.37 -46.52 88.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.683 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.02 -31.24 39.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.501 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.6 m-85 -61.32 -46.76 88.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.84 -43.67 7.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 92' ' ' TRP . 1.9 mmmp? -49.02 -72.39 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 43.8 ttm -73.93 147.71 42.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.5 142.32 15.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -167.18 115.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -42.02 -54.12 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -45.39 -43.87 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.57 -43.39 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -46.97 102.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.4 t -128.47 98.04 4.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.404 ' HA2' ' HD2' ' A' ' 106' ' ' PRO . . . 115.18 95.26 2.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.404 ' HD2' ' HA2' ' A' ' 105' ' ' GLY . 53.7 Cg_endo -69.78 -9.0 25.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.5 m -58.58 130.85 48.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.4 p -56.07 139.91 45.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -159.48 122.91 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.838 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 t -141.37 159.8 41.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.85 135.4 4.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t -127.92 149.85 50.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -120.1 105.86 11.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.75 -100.95 0.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.11 45.92 25.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 111.06 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 p -133.96 129.21 35.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.1 p -159.94 175.84 12.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.0 p -131.34 165.17 24.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -92.89 152.53 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.5 p -168.86 157.49 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.2 p -61.6 144.2 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -125.07 161.43 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -171.84 153.59 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.0 m -153.01 113.32 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -117.31 114.23 23.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -125.29 152.25 70.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.67 0.747 . . . . 0.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 161.57 45.4 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 p -93.78 -44.55 8.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.12 94.6 1.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mp -105.22 90.22 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.6 p -41.46 -55.28 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.08 -160.59 26.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.541 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.57 -44.95 3.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.527 HG11 ' HB3' ' A' ' 53' ' ' GLN . 66.1 t -95.98 141.47 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 111.086 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 m -102.78 131.38 49.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.1 mm -71.53 134.05 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.541 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.4 m-85 -137.25 141.67 42.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 t -118.43 144.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -89.02 113.78 24.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.625 HD11 ' CG1' ' A' ' 82' ' ' VAL . 13.2 mt -78.76 -36.04 43.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.422 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.1 m-85 -117.38 145.73 43.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -71.79 135.97 46.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 80.3 t80 -136.23 154.74 50.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -122.81 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -52.27 106.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -51.18 -24.25 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 t -173.72 165.4 4.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.2 p -37.69 -46.81 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -48.36 -49.27 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -76.95 162.32 27.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -104.74 130.3 52.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.459 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 95.8 p -86.03 117.7 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.624 ' CD1' HG22 ' A' ' 76' ' ' ILE . 40.3 p90 -135.58 154.08 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -116.86 166.87 11.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -65.06 112.66 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.68 26.04 7.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 1.7 tp10 -115.19 139.63 49.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 27.7 mtt180 -93.33 160.83 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 46' ' ' PHE . 30.2 m-85 -160.62 137.41 8.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.527 ' HB3' HG11 ' A' ' 27' ' ' VAL . 61.7 mt-30 -84.37 113.31 21.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.413 HD13 ' HB2' ' A' ' 65' ' ' ALA . 48.5 mm -65.69 108.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.629 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.3 mt -82.34 -51.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.64 131.11 44.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.472 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -122.49 45.44 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 t -91.73 -41.2 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -88.57 99.21 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.33 -47.19 35.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -49.04 -54.37 16.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 25.9 m95 -136.69 138.13 40.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.514 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 47.6 m0 -109.34 144.66 37.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -91.37 117.44 29.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -134.46 169.17 17.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.629 ' HB2' HD11 ' A' ' 55' ' ' ILE . 27.9 ttm180 -128.48 105.47 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -45.85 141.91 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.3 mt -97.33 -27.11 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.33 -67.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -78.14 -44.23 26.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.89 31.35 5.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -93.21 176.46 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.6 p -154.0 142.3 20.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.477 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 177.03 -136.15 3.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.482 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.46 ' H ' ' N ' ' A' ' 44' ' ' LEU . 15.5 m-85 -132.52 123.68 27.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.624 HG22 ' CD1' ' A' ' 46' ' ' PHE . 35.9 pt -118.14 139.68 26.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.678 0.752 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.79 119.83 6.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.514 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 59.9 p -64.33 -8.22 12.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -83.36 -8.02 59.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.422 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.8 m-85 -113.76 -33.96 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 76' ' ' ILE . 32.7 m -102.69 139.09 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.625 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -128.09 152.84 78.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.541 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.4 Cg_endo -69.79 132.13 22.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.94 -7.35 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -94.92 -40.85 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -111.62 29.87 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.446 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -40.79 103.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -77.22 -19.94 55.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -119.95 26.08 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.642 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.26 -30.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 89' ' ' ALA . 53.6 mt-10 -37.67 -32.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.687 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.6 p-90 -62.8 -46.47 87.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.687 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.9 -31.27 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.7 m-85 -61.32 -49.03 78.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.99 -47.57 5.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' MET . 17.7 tptm -99.53 141.99 31.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 96' ' ' LYS . 40.8 mtp -36.41 147.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.31 -38.2 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -97.36 178.27 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -171.81 129.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -132.38 147.43 52.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.84 177.96 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -116.4 -67.33 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.1 t -147.84 178.9 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.82 -158.62 22.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.12 37.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -163.74 138.08 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.8 t -120.54 120.17 35.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 p 38.68 42.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -93.93 164.77 12.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 -122.19 2.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 p 46.95 42.36 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.878 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -61.96 -60.54 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.67 160.09 7.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.92 118.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.318 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -154.61 106.32 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -130.46 124.53 32.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 m -134.14 128.96 35.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -150.95 169.53 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.0 m -136.27 137.7 41.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -111.68 11.33 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 p -172.12 131.75 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t -159.88 158.19 30.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 t -154.98 156.47 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -117.31 97.89 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -116.5 150.89 46.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' O ' HD11 ' A' ' 23' ' ' LEU . 53.5 Cg_endo -69.75 147.47 63.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.363 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.3 p -116.12 159.45 21.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.26 52.67 50.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.463 HD11 ' O ' ' A' ' 20' ' ' PRO . 6.1 mp -80.78 -20.15 43.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.4 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.1 m -59.43 138.15 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.79 141.04 27.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.539 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.43 -52.58 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.34 136.41 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.935 0.398 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -122.24 136.29 54.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.416 ' HA ' HD13 ' A' ' 29' ' ' ILE . 12.0 mm -79.34 138.48 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.3 m-85 -141.76 143.14 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -117.89 147.27 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.84 115.61 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 92' ' ' TRP . 12.5 mt -80.66 -35.28 34.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.447 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.9 m-85 -114.15 151.8 32.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -84.92 128.12 34.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 78.9 t80 -130.61 168.59 16.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.546 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 35.8 tp10 -136.47 121.42 18.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.519 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.45 112.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -64.85 -46.92 79.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.6 p -128.28 162.26 27.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -48.21 -32.73 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.52 -32.85 73.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.08 159.55 30.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.652 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -111.79 126.23 54.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.519 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 4.7 t -86.24 139.74 30.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CE1' HG22 ' A' ' 76' ' ' ILE . 3.9 p90 -151.04 166.25 31.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -126.76 157.01 40.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -58.46 106.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.16 29.35 4.31 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -117.59 147.71 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.522 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 9.6 mtt85 -101.45 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 16.2 m-85 -161.04 136.09 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.629 ' HG3' HD11 ' A' ' 68' ' ' ILE . 36.8 mt-30 -81.75 113.19 19.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.9 mm -65.88 106.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.743 HD11 ' HB2' ' A' ' 66' ' ' ARG . 12.9 mt -83.4 -46.47 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -140.22 125.28 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.546 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -126.27 45.01 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.9 t -74.78 -46.2 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.481 ' N ' HG23 ' A' ' 58' ' ' THR . 0.9 OUTLIER -102.81 119.82 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.14 -41.01 94.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' CD1' ' A' ' 62' ' ' TRP . 2.7 m-20 -40.67 -51.35 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 48.7 m95 -148.36 133.25 18.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 46.6 m0 -109.08 141.64 40.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -87.63 114.83 24.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.63 157.23 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.743 ' HB2' HD11 ' A' ' 55' ' ' ILE . 8.2 ttt180 -120.43 104.06 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.471 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 1.2 t -42.71 138.3 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.629 HD11 ' HG3' ' A' ' 53' ' ' GLN . 6.7 mt -96.62 -31.08 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.07 -57.82 4.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 75.9 p -90.89 -44.06 9.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.67 17.33 9.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.581 ' HB3' HD21 ' A' ' 44' ' ' LEU . 55.3 mttt -70.73 167.75 18.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.9 p -156.71 135.55 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.485 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 175.21 -131.43 1.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.486 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 19.4 m-85 -132.33 126.5 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.957 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.652 HG23 ' HB3' ' A' ' 44' ' ' LEU . 31.3 pt -122.25 140.88 33.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.8 118.85 5.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 96.0 p -63.11 -10.03 13.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -82.48 -4.05 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.447 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.7 m-85 -117.32 -31.81 5.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.487 HG11 HD12 ' A' ' 76' ' ' ILE . 31.3 m -102.95 146.45 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.526 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -138.09 153.13 73.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.547 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.76 134.0 26.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.75 -5.58 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -96.26 -41.74 8.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.62 24.98 12.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.444 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.59 103.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -77.12 -20.95 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.08 27.12 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.641 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.8 pt-20 -34.97 -31.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 20.0 mt-10 -37.16 -33.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.694 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.0 p-90 -62.08 -47.78 83.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.694 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -78.53 -31.03 47.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.505 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.3 m-85 -61.78 -44.42 96.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -85.72 -32.22 19.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' GLY . 31.3 tptt -33.22 134.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tpp -53.8 -48.45 69.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.96 -170.85 0.23 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -160.4 134.35 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -78.18 127.02 31.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -97.82 136.22 38.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.57 157.17 46.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -81.71 -56.08 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.5 t -173.21 125.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -160.29 146.05 12.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.21 9.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.4 m -125.02 165.97 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 97.6 p -170.15 134.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -75.93 143.84 41.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 p -152.14 161.19 43.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.08 119.45 0.83 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 p -84.55 175.29 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -172.46 126.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.84 -169.37 5.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.82 171.58 14.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.1 m -107.7 151.9 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.5 p -95.13 133.63 38.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -144.4 145.44 31.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -127.36 167.62 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.3 p -154.91 148.33 25.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 14' ' ' VAL . 11.3 p -149.75 128.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.52 143.87 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 m -107.0 -47.0 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.0 p -138.63 133.55 32.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.9 m -44.68 161.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -114.41 144.16 31.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' O ' HD11 ' A' ' 23' ' ' LEU . 53.9 Cg_endo -69.74 154.47 67.79 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.369 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.9 p -98.15 16.83 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.2 72.14 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.5 mp -93.15 -18.28 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.3 p -73.98 107.49 6.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.51 75.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.47 -43.62 1.44 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -114.17 143.75 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.935 0.398 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.7 m -110.52 134.55 52.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.4 mm -76.5 139.16 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.4 m-85 -140.67 144.92 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG22 ' HG2' ' A' ' 51' ' ' ARG . 3.7 t -121.96 146.9 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.48 118.4 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.544 HD22 ' CD1' ' A' ' 92' ' ' TRP . 5.6 mt -85.19 -32.62 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.8 m-85 -114.93 154.19 29.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -83.76 119.81 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 91.1 t80 -120.43 160.2 23.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 19.1 tt0 -129.93 121.26 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -55.03 112.18 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -57.31 -21.21 33.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -171.84 163.57 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.6 m -38.18 -46.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -50.36 -43.1 54.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.6 154.52 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.556 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -97.18 127.58 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.42 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 2.5 p -85.79 111.95 20.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.72 ' CD1' HG22 ' A' ' 76' ' ' ILE . 39.0 p90 -129.11 154.81 46.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -120.65 162.56 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -60.91 108.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.1 35.22 3.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 17.0 tt0 -128.02 135.63 50.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.908 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HG2' HG22 ' A' ' 31' ' ' VAL . 50.8 mtt180 -92.74 155.68 17.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 35.8 m-85 -152.2 144.69 24.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' HG3' HD11 ' A' ' 68' ' ' ILE . 34.6 mt-30 -86.89 108.95 19.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.402 HD13 ' HB2' ' A' ' 65' ' ' ALA . 41.3 mm -64.49 104.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.635 HD11 ' HB2' ' A' ' 66' ' ' ARG . 18.1 mt -81.68 -47.17 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -135.03 124.11 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 25.4 p30 -117.57 38.9 3.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.7 t -85.06 -39.72 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 10.9 mt-10 -94.96 98.86 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.54 -55.18 14.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 17.2 p-10 -40.79 -48.14 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 41.1 m95 -144.35 131.44 20.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.5 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 38.0 m0 -108.79 149.54 28.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -93.66 110.67 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -130.13 153.07 48.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.635 ' HB2' HD11 ' A' ' 55' ' ' ILE . 35.6 ttm180 -117.7 108.29 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.4 t -42.11 135.73 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.465 HD11 ' HG3' ' A' ' 53' ' ' GLN . 5.4 mt -92.37 -24.98 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.04 -61.02 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.3 p -80.85 -51.47 8.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.53 10.71 12.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -70.94 171.91 9.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.0 p -154.47 144.0 21.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.469 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.4 -138.44 4.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.471 ' H ' ' N ' ' A' ' 44' ' ' LEU . 18.5 m-85 -132.45 127.22 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.72 HG22 ' CD1' ' A' ' 46' ' ' PHE . 32.2 pt -120.62 142.3 33.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.78 122.12 8.8 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.5 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 54.4 p -66.86 -4.02 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -89.04 -3.26 58.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.403 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.2 m-85 -118.53 -32.49 4.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.572 HG11 HD12 ' A' ' 76' ' ' ILE . 30.2 m -102.11 147.64 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -138.87 152.67 70.86 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.643 0.735 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.77 133.28 25.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -6.91 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -95.2 -41.53 9.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -109.92 28.02 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.453 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -38.9 104.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.669 ' OE1' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -76.04 -30.2 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.669 ' HB2' ' OE1' ' A' ' 88' ' ' GLN . . . -106.66 24.94 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.62 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -36.29 -28.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 89' ' ' ALA . 25.9 mt-10 -41.44 -32.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.686 ' CZ3' ' CB ' ' A' ' 93' ' ' TYR . 27.4 p-90 -61.82 -44.98 95.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.686 ' CB ' ' CZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.22 -32.09 38.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 9.2 m-85 -60.53 -48.23 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -84.15 -39.41 9.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 95' ' ' GLY . 12.6 ttmt -34.43 149.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.726 0.298 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 28.7 ttm -39.15 105.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 123.03 49.84 0.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -48.31 -58.09 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -85.29 109.11 18.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -101.68 127.68 48.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -173.12 170.13 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -76.5 177.07 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 t -157.8 169.66 24.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -55.17 158.03 7.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -36.08 11.51 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.74 2.293 . . . . 0.0 112.323 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 85.9 p -58.63 -50.42 73.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.6 m -61.07 153.65 24.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -174.93 172.99 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.378 . . . . 0.0 110.833 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -169.82 147.58 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.95 131.89 4.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -174.92 158.83 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -157.43 143.0 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.71 -99.03 0.15 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.49 44.19 27.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -158.11 117.15 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.4 m -92.23 113.87 26.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -143.01 145.57 33.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -42.7 -57.24 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -138.48 148.38 44.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.3 m -105.01 -39.86 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.167 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 t 44.87 40.96 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -135.57 116.03 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -129.59 169.34 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.6 t -48.2 135.34 13.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -53.73 145.74 29.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.669 0.747 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.503 ' HG2' HD21 ' A' ' 23' ' ' LEU . 53.3 Cg_endo -69.8 -179.17 2.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.1 p -123.78 177.5 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.38 52.19 46.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.503 HD21 ' HG2' ' A' ' 20' ' ' PRO . 53.3 mt -89.25 -21.01 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.929 0.395 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 50.5 m -107.23 86.67 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.58 -101.69 1.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.28 -46.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.45 138.93 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -107.32 131.0 54.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 29' ' ' ILE . 11.7 mm -74.98 138.36 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.9 m-85 -139.9 145.39 37.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.99 146.89 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.8 114.37 26.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 92' ' ' TRP . 13.4 mt -79.47 -35.87 39.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -115.19 156.23 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 124.53 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 88.2 t80 -125.23 168.79 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 27.7 tt0 -138.09 120.54 16.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HB3' ' OG ' ' A' ' 45' ' ' SER . . . -51.59 110.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -60.09 -47.52 85.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.4 p -125.54 163.03 23.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -51.57 -23.22 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -76.85 -31.59 56.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.86 150.22 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.653 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -94.95 127.68 41.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.429 ' OG ' ' HB3' ' A' ' 38' ' ' ALA . 6.2 m -87.74 118.27 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.703 ' CD1' HG22 ' A' ' 76' ' ' ILE . 20.9 p90 -132.79 165.25 25.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -131.02 157.9 41.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -58.74 113.53 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.93 25.08 7.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 31.8 tt0 -119.56 139.28 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -94.05 158.58 15.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 36.0 m-85 -156.16 135.63 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' HG3' HD11 ' A' ' 68' ' ' ILE . 48.8 mt-30 -82.42 113.64 20.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.493 HG21 ' ND2' ' A' ' 57' ' ' ASN . 19.4 mm -64.82 112.24 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.737 HD11 ' HB2' ' A' ' 66' ' ' ARG . 15.0 mt -87.74 -49.48 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -137.98 123.26 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.542 ' OD1' ' CG ' ' A' ' 63' ' ' TRP . 8.6 m-20 -120.5 45.22 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.8 t -89.08 -41.04 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.421 ' N ' HG23 ' A' ' 58' ' ' THR . 17.5 mt-10 -91.75 97.11 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -43.93 -49.2 7.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -38.77 -59.97 0.89 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.748 0.309 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 36.4 m95 -138.63 138.65 38.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CG ' ' OD1' ' A' ' 57' ' ' ASN . 46.1 m0 -105.69 144.06 32.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.34 111.35 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.66 163.76 23.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.737 ' HB2' HD11 ' A' ' 55' ' ' ILE . 6.4 ttt85 -125.77 106.71 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t -42.34 141.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.411 HD11 ' HG3' ' A' ' 53' ' ' GLN . 9.5 mt -96.18 -31.52 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.163 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.32 -60.96 2.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.5 p -79.55 -45.37 19.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.09 14.42 24.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -73.68 175.01 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.414 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 42.6 p -155.42 144.01 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.48 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 172.31 -140.12 5.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.48 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 22.0 m-85 -128.22 123.54 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.703 HG22 ' CD1' ' A' ' 46' ' ' PHE . 31.9 pt -118.37 140.97 28.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.77 123.61 10.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.2 p -66.95 -16.72 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -76.8 -2.28 32.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -119.29 -31.82 4.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.636 HG11 HD12 ' A' ' 76' ' ' ILE . 32.6 m -102.13 148.54 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.496 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -140.9 152.93 66.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.76 134.06 27.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.04 -4.92 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -96.91 -39.49 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -111.45 26.92 10.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.46 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -38.56 103.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -78.08 -21.1 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -117.88 25.66 10.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.622 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.92 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 89' ' ' ALA . 52.3 mt-10 -40.03 -32.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.675 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.4 p-90 -61.16 -43.85 98.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.675 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.57 -32.44 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.919 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.622 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.2 m-85 -60.02 -45.47 92.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -98.14 -49.57 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.445 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -94.42 117.91 30.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.941 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.4 mtm -44.05 -48.38 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.99 -95.95 2.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -124.3 -59.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.382 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -162.78 154.66 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.57 173.73 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.64 106.77 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.425 ' C ' ' OE1' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -138.6 111.53 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 t -76.76 -59.76 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 139.97 -94.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.39 3.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.384 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.1 p -150.82 127.48 10.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.5 m -84.32 41.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -139.97 126.99 20.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.832 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p -165.67 164.71 19.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.92 151.63 6.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -146.32 177.42 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -154.73 127.86 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.58 159.8 32.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.31 107.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -76.29 94.89 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.6 p -146.11 148.48 32.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.3 m -128.5 -176.57 3.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' CD2' ' N ' ' A' ' 13' ' ' SER . 40.1 p90 -88.87 -55.77 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.457 ' N ' ' CD2' ' A' ' 12' ' ' PHE . 31.2 t -174.88 123.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -114.42 115.52 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.5 t -128.69 -69.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.0 t -102.33 -70.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m 62.45 39.2 12.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -124.06 123.59 40.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -96.09 144.32 27.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.693 0.758 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -165.16 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.735 2.29 . . . . 0.0 112.336 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.6 p -143.75 146.64 33.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . 117.19 -46.5 1.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -32.92 148.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.0 110.892 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -148.6 -176.82 5.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.35 153.39 6.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.46 33.21 2.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.557 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -122.28 141.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 111.122 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 m -109.79 137.28 47.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.2 mm -79.34 140.72 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 16.5 m-85 -141.67 144.56 34.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.54 146.8 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -90.94 113.81 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.618 HD11 HG11 ' A' ' 82' ' ' VAL . 12.0 mt -79.56 -35.4 39.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -116.46 143.85 45.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -73.98 130.56 40.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 75.0 t80 -128.35 168.57 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.549 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 7.8 tt0 -136.1 119.98 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.56 108.36 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -63.18 -47.77 81.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.8 p -127.34 158.2 37.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -45.97 -29.26 1.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.73 -37.05 76.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -74.64 145.78 42.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.572 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -91.27 130.43 37.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.3 p -86.8 113.67 22.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.695 ' CD1' HG22 ' A' ' 76' ' ' ILE . 26.0 p90 -129.57 165.73 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 15.5 mmtp -132.3 161.7 32.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -61.62 112.29 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.73 15.32 20.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.514 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 18.1 tt0 -109.49 135.8 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 52.0 mtt180 -88.02 161.44 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.671 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 55.8 m-85 -158.92 136.01 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -83.98 113.06 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.07 111.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.807 HD11 ' HB2' ' A' ' 66' ' ' ARG . 22.5 mt -88.51 -51.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -131.61 125.6 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.46 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -119.99 39.47 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.4 t -85.64 -42.62 14.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' N ' HG23 ' A' ' 58' ' ' THR . 21.6 mt-10 -83.29 97.8 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.51 -35.01 21.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.52 -53.79 51.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 38.4 m95 -135.85 138.21 42.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.506 ' CD2' ' HB3' ' A' ' 78' ' ' SER . 53.7 m0 -109.58 135.53 50.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -82.48 118.06 22.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.87 158.55 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.807 ' HB2' HD11 ' A' ' 55' ' ' ILE . 19.1 ttm-85 -119.51 109.47 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.39 138.48 13.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 mt -93.22 -43.8 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.85 -62.19 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -80.35 -50.59 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.22 16.29 10.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -76.82 176.66 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 p -153.94 139.26 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.83 -140.51 4.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -130.12 128.11 41.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.838 HD12 HG11 ' A' ' 81' ' ' VAL . 37.4 pt -121.88 139.68 30.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.81 116.14 4.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.506 ' HB3' ' CD2' ' A' ' 63' ' ' TRP . 76.1 p -57.03 -27.07 61.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -65.13 -5.97 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.48 -33.34 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.838 HG11 HD12 ' A' ' 76' ' ' ILE . 28.6 m -102.35 141.28 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.618 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -133.59 152.9 79.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.717 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.485 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.5 Cg_endo -69.79 135.38 30.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -4.43 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -39.82 8.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -110.71 24.15 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.449 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -34.22 103.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -77.05 -17.79 58.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -122.45 26.23 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.635 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -34.97 -31.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 89' ' ' ALA . 22.9 mt-10 -37.41 -34.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.674 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 26.8 p-90 -60.94 -45.9 92.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.674 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.13 -31.36 34.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -61.73 -41.33 97.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.62 -51.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -89.49 84.93 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.1 mtm -56.89 152.39 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.81 53.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -133.21 106.9 7.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -109.67 159.44 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -162.46 159.33 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -166.95 110.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -152.43 144.52 23.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.8 p -129.32 154.48 46.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 140.82 84.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 145.62 57.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 65.5 m -161.92 160.77 28.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.5 m -125.98 94.9 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -76.04 130.81 38.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -137.13 151.44 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.92 153.0 9.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -163.75 116.26 1.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.836 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 p -119.84 161.32 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.03 74.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.61 170.52 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.1 p -61.46 161.92 8.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.9 p -108.44 158.78 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -92.4 156.19 17.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -155.58 114.89 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 t -136.29 106.8 6.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -61.35 132.9 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.2 t -143.09 132.84 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.8 m -68.95 113.47 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -114.66 89.49 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.2 p -65.37 141.91 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -56.95 151.54 32.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.681 0.753 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.431 ' O ' HD11 ' A' ' 23' ' ' LEU . 53.3 Cg_endo -69.73 139.65 40.84 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 p -110.82 160.12 17.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.37 57.32 17.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.431 HD11 ' O ' ' A' ' 20' ' ' PRO . 5.8 mp -77.49 95.95 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 50.1 p -154.49 116.28 4.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.13 -137.93 6.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.53 46.89 1.05 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -118.19 139.07 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -110.19 133.0 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.9 mm -73.76 137.0 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.3 m-85 -138.57 142.45 39.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.4 144.06 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -89.89 115.42 27.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.46 HD11 HG11 ' A' ' 82' ' ' VAL . 17.3 mt -80.89 -34.71 33.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 2.0 m-85 -117.76 139.88 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 130.43 40.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.587 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 79.7 t80 -129.79 168.7 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 13.4 tm-20 -136.35 119.97 17.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB3' ' OG ' ' A' ' 45' ' ' SER . . . -51.81 106.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -59.95 -47.72 84.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p -127.6 154.6 45.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -44.44 -23.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.47 -40.18 70.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -74.52 159.07 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.586 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -102.05 131.18 48.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 38' ' ' ALA . 54.1 m -84.53 118.01 24.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.692 ' CD1' HG22 ' A' ' 76' ' ' ILE . 39.2 p90 -137.06 162.18 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 21.6 mmtp -130.77 168.84 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -64.89 117.12 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.47 23.63 12.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 17.6 tt0 -117.12 136.86 52.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 37.7 mtt-85 -93.38 163.34 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 34.7 m-85 -160.36 137.45 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -82.44 112.43 19.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.15 107.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 66' ' ' ARG . 13.5 mt -82.78 -52.26 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -130.65 129.65 42.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -122.98 43.54 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.8 t -84.84 -44.99 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 58' ' ' THR . 20.8 mt-10 -88.47 103.63 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.28 -37.79 55.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -51.89 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.54 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 40.6 m95 -139.36 136.19 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.7 m0 -110.09 144.91 37.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -91.2 116.18 28.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.92 161.62 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.717 ' HB2' HD11 ' A' ' 55' ' ' ILE . 47.5 ttp180 -123.27 103.34 8.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.406 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 7.7 m -40.38 141.61 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mt -93.39 -48.9 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 p -76.96 -58.09 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.37 12.26 9.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -71.1 175.93 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.5 p -156.42 140.56 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 176.03 -138.89 4.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -128.68 128.79 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.692 HG22 ' CD1' ' A' ' 46' ' ' PHE . 34.8 pt -122.91 141.43 35.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.54 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.77 121.25 7.94 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 83.3 p -66.74 -4.1 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -88.41 -5.9 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.8 m-85 -114.79 -34.95 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 32' ' ' ALA . 35.4 m -102.17 138.58 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.46 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -128.64 152.94 79.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.612 0.72 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.533 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.79 132.58 23.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.316 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.77 -7.34 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -94.44 -41.92 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -109.33 29.16 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.449 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -41.17 103.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -77.54 -16.57 58.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -122.9 25.29 8.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.628 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.2 pt-20 -35.2 -30.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 89' ' ' ALA . 3.1 mp0 -38.55 -35.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.695 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.9 p-90 -59.64 -45.07 93.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.695 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.6 -32.67 36.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.451 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.8 m-85 -59.46 -44.28 93.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.7 -50.8 1.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' TRP . 21.8 tptm -94.76 94.87 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.729 0.3 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.6 ptm -159.87 174.37 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.77 -121.01 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -68.63 104.68 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -60.97 126.97 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -171.78 114.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -153.45 114.78 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -71.08 120.22 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.3 p -101.18 149.9 23.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.14 153.35 21.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.484 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 98.83 0.71 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -144.52 172.28 13.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.0 t -72.99 112.14 8.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -157.46 150.44 23.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -157.76 135.27 10.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.43 172.26 22.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -150.4 152.24 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -48.22 129.69 15.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.59 -168.06 38.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.03 82.13 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -89.55 119.79 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 p -101.57 42.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.4 p -166.08 167.39 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -113.56 -52.61 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -124.41 41.77 3.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 14' ' ' VAL . 15.7 t 65.03 50.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -159.97 137.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.1 p -53.11 148.39 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.2 p -70.64 -43.02 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.4 p -39.4 136.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -45.44 147.3 1.45 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.648 0.737 . . . . 0.0 110.96 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 169.62 18.48 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 p -108.94 162.09 14.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.96 53.21 5.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mp -83.93 -21.38 31.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.875 0.369 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.3 m -143.61 125.67 15.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.4 110.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.531 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.96 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -105.72 149.42 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.924 0.392 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 m -120.2 134.55 55.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.2 mm -76.5 141.03 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.524 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 14.4 m-85 -142.45 144.19 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.27 144.26 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -86.89 114.01 23.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.669 HD11 HG11 ' A' ' 82' ' ' VAL . 20.6 mt -77.56 -37.01 51.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.512 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.7 m-85 -118.63 144.31 46.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -72.29 135.21 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 59.4 t80 -136.18 158.26 44.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 2.1 tp10 -123.99 120.42 32.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -53.04 110.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -54.6 -28.65 47.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.9 168.52 19.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -44.81 -38.37 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.3 -40.92 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -81.46 156.4 25.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.485 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -100.16 126.7 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.478 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 18.6 p -84.72 115.41 22.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.6 ' CD1' HG22 ' A' ' 76' ' ' ILE . 33.6 p90 -131.01 166.54 20.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.829 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 25.0 mmtp -132.98 165.58 24.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -64.14 113.6 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.69 24.66 8.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 16.0 tt0 -118.89 136.87 53.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 74.5 mtt180 -93.42 163.36 13.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 30.8 m-85 -159.78 142.9 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -86.3 108.73 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.452 HD13 ' HB2' ' A' ' 65' ' ' ALA . 43.1 mm -64.6 108.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 66' ' ' ARG . 21.3 mt -83.81 -50.92 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -129.69 123.21 30.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -119.78 34.82 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.1 t -83.89 -45.23 13.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.477 ' N ' HG23 ' A' ' 58' ' ' THR . 13.8 mt-10 -81.66 97.43 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -48.29 -43.72 26.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -50.38 -60.88 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.489 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 64.2 m95 -128.88 138.11 51.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.439 ' CD2' ' HB3' ' A' ' 78' ' ' SER . 44.8 m0 -110.52 136.09 50.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.04 123.76 33.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -142.11 159.5 42.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.497 ' HB2' HD11 ' A' ' 55' ' ' ILE . 23.8 ttm180 -121.86 106.3 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.91 143.62 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.1 mt -96.68 -36.32 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.37 -57.45 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.6 p -78.98 -38.41 36.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.5 20.23 35.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CB ' HD21 ' A' ' 44' ' ' LEU . 15.9 mttp -82.8 171.33 14.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 p -156.85 131.23 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . -176.89 -132.83 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -132.58 120.91 22.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.877 HD12 HG11 ' A' ' 81' ' ' VAL . 47.3 pt -114.99 141.41 26.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.49 ' HD2' ' CE1' ' A' ' 46' ' ' PHE . 53.6 Cg_endo -69.75 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.439 ' HB3' ' CD2' ' A' ' 63' ' ' TRP . 94.2 p -60.87 -9.5 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -82.8 -4.18 57.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.512 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.9 m-85 -118.7 -30.27 5.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.877 HG11 HD12 ' A' ' 76' ' ' ILE . 35.1 m -102.34 145.77 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.669 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -139.27 152.9 70.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.639 0.733 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.524 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.85 133.56 25.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -5.52 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -95.9 -41.77 8.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -107.96 23.25 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.7 OUTLIER -33.7 103.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.73 -23.0 49.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.544 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -118.59 27.76 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.631 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.5 pt-20 -35.49 -29.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' ALA . 25.8 mt-10 -39.22 -32.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.658 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.0 p-90 -62.39 -44.41 96.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.658 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -82.38 -31.37 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.0 m-85 -61.03 -48.12 83.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.16 -43.21 3.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.75 97.46 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 97' ' ' MET . 2.2 tmm? -71.55 -54.58 10.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.13 64.74 0.74 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -39.8 136.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -146.95 147.56 30.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.22 151.55 40.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -140.07 161.52 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -121.1 -60.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 72.8 m 61.26 53.7 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.15 146.22 17.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 123.84 10.49 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.317 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.6 p -119.6 -46.26 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.2 m -43.44 -47.51 7.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.464 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -158.68 133.47 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.825 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -152.09 158.46 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.03 165.53 37.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -146.76 173.88 11.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -156.71 169.6 24.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.72 175.6 13.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.64 175.66 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.6 p -110.11 -59.61 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 t -172.69 117.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -143.21 163.42 32.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -117.96 -46.52 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -135.44 153.55 51.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.43 -58.94 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.2 t -103.96 121.27 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -80.95 -54.16 5.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.1 p -123.31 118.13 26.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -53.53 126.23 20.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.508 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 2.8 p90 -119.62 143.92 35.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 110.935 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 137.87 36.59 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -76.34 47.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -156.29 75.43 0.22 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.828 HD22 ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -109.92 104.13 13.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 m -98.89 -45.95 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.8 106.27 3.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.69 -58.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.2 t -97.26 147.07 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 111.106 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -97.48 129.99 44.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mm -77.47 141.75 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 18.9 m-85 -142.61 143.73 32.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.44 148.68 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.73 111.45 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.627 HD11 HG11 ' A' ' 82' ' ' VAL . 12.9 mt -76.54 -35.9 57.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -115.04 150.81 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.85 131.26 35.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.7 t80 -129.13 168.64 15.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.516 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 25.8 tp10 -136.37 119.95 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.91 110.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -65.42 -47.56 75.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 p -129.44 163.5 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 t -52.65 -23.08 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -77.12 -27.41 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.69 150.66 24.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.619 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -97.32 128.5 44.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -85.55 137.11 33.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.662 ' CE1' HG22 ' A' ' 76' ' ' ILE . 19.5 p90 -153.78 168.72 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -132.99 170.91 14.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -68.84 105.38 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.22 32.07 2.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 21.1 tt0 -126.03 137.35 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.506 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 65.6 mtt180 -90.68 163.59 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 47.5 m-85 -160.13 133.81 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -81.61 114.11 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.7 mm -66.87 109.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 66' ' ' ARG . 13.6 mt -85.1 -48.43 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -137.06 128.62 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.6 41.96 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 59' ' ' GLU . 10.1 t -83.96 -44.58 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' N ' HG23 ' A' ' 58' ' ' THR . 22.4 mt-10 -82.83 98.62 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.32 -37.69 25.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.16 -54.35 47.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 35.8 m95 -133.88 140.15 46.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 78' ' ' SER . 53.7 m0 -110.95 143.01 42.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -91.48 118.26 30.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.15 159.88 40.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.717 ' HB2' HD11 ' A' ' 55' ' ' ILE . 17.6 ttt180 -117.68 109.26 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.9 p -50.56 132.96 25.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.1 mt -89.37 -30.02 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.162 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.42 -53.77 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.8 p -92.39 -54.52 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.1 5.88 11.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -70.81 176.74 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.5 p -156.06 139.85 16.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.476 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . -178.03 -135.05 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.441 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.411 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 18.4 m-85 -132.48 124.4 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.873 HD12 HG11 ' A' ' 81' ' ' VAL . 38.7 pt -121.18 138.08 27.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.72 115.19 3.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.327 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.559 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 17.4 t -52.38 -41.77 63.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -49.41 -17.8 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -102.96 -36.66 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.873 HG11 HD12 ' A' ' 76' ' ' ILE . 35.7 m -102.0 137.03 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.627 HG11 HD11 ' A' ' 33' ' ' LEU . 1.5 m -128.37 153.07 79.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.447 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.79 133.78 26.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.286 . . . . 0.0 112.315 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.69 -5.56 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -96.18 -41.65 8.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -108.5 25.06 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.454 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.93 103.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.179 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -78.62 -25.95 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.578 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -113.82 26.08 10.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.632 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.65 -28.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 89' ' ' ALA . 43.6 mt-10 -38.87 -31.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.697 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 35.2 p-90 -62.07 -47.37 84.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.697 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -77.48 -31.91 53.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.632 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.9 m-85 -60.63 -46.79 88.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -80.48 -38.36 17.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' GLY . 7.9 tmtt? -33.65 -61.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.318 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 15.3 ttp -46.94 154.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -41.31 -46.33 4.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -51.05 102.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -66.24 121.32 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -104.65 -46.38 4.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.23 157.36 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.85 161.09 14.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t -117.3 123.48 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -48.74 175.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 93.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t -170.03 166.0 9.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.7 p -121.89 152.01 40.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -164.33 150.33 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -58.87 130.68 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -125.73 150.89 17.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' GLY . 24.4 m -37.31 150.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.898 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -80.19 -52.52 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.21 99.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.21 93.53 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.6 p -127.84 127.01 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 t -123.64 148.76 46.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.1 p -116.11 -46.66 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -112.69 175.05 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -172.67 125.12 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.9 m -84.89 160.18 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.0 t -113.16 141.42 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -114.95 127.24 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -56.59 178.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.7 t -81.92 52.12 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -125.58 150.64 68.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.742 . . . . 0.0 110.94 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 140.95 43.84 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.9 p -105.64 135.36 47.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.8 57.51 6.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.684 ' H ' HD12 ' A' ' 23' ' ' LEU . 4.2 mp -71.78 -19.64 61.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -63.94 156.56 27.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.14 -84.46 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.98 124.06 0.84 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t -101.13 144.01 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.0 m -112.53 134.22 54.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.24 136.81 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.527 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.2 m-85 -138.24 142.86 39.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -118.57 146.85 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.83 114.11 26.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.631 HD11 ' CG1' ' A' ' 82' ' ' VAL . 8.7 mt -80.63 -34.37 35.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -116.55 147.96 41.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -77.39 124.46 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.582 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 87.9 t80 -126.76 163.92 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 35.7 tt0 -135.34 121.71 20.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB3' ' OG ' ' A' ' 45' ' ' SER . . . -52.57 106.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -60.33 -46.25 90.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.9 p -127.71 154.94 44.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.9 m -44.23 -26.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.75 -39.1 76.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -76.47 153.99 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.65 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -98.29 131.73 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.483 ' OG ' ' HB3' ' A' ' 38' ' ' ALA . 44.3 m -85.21 116.05 23.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.782 ' CD1' HG22 ' A' ' 76' ' ' ILE . 34.6 p90 -134.08 158.17 44.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -124.86 160.93 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -59.71 113.93 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.2 22.76 9.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 16.9 tt0 -116.52 135.96 53.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -90.25 159.41 16.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.672 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 55.4 m-85 -156.27 135.04 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -81.64 112.23 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.6 mm -65.91 108.85 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.733 HD11 ' HB2' ' A' ' 66' ' ' ARG . 26.3 mt -83.99 -56.28 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -126.33 127.13 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -119.2 41.12 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 59' ' ' GLU . 9.7 t -83.99 -43.28 15.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' N ' HG23 ' A' ' 58' ' ' THR . 18.7 mt-10 -89.52 101.88 14.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.03 50.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.2 -49.75 76.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.532 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 44.6 m95 -139.9 132.99 29.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.532 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.6 m0 -107.4 142.41 37.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -90.95 115.67 28.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.06 165.12 23.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.733 ' HB2' HD11 ' A' ' 55' ' ' ILE . 15.7 ttt85 -124.13 106.92 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -42.96 139.77 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.6 mt -94.68 -24.39 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.1 -59.91 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -81.75 -36.54 28.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.81 12.51 55.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -72.63 173.59 8.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.7 p -154.63 139.9 17.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.469 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 178.9 -134.83 2.42 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.449 ' H ' ' N ' ' A' ' 44' ' ' LEU . 20.7 m-85 -132.41 123.28 26.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.915 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.782 HG22 ' CD1' ' A' ' 46' ' ' PHE . 25.7 pt -116.48 140.14 26.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.532 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.0 Cg_endo -69.81 122.16 8.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.532 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 54.1 p -68.04 -2.77 8.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -91.07 -2.21 57.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.88 -34.79 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.574 HG21 HD12 ' A' ' 76' ' ' ILE . 34.2 m -102.07 140.84 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.179 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.631 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -130.35 153.07 81.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.527 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.82 134.1 27.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.47 -5.81 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -96.22 -41.74 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.08 23.97 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.2 103.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.78 -22.68 49.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -118.5 27.33 9.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.24 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 15.5 mt-10 -37.6 -32.24 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.668 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.0 p-90 -62.82 -46.16 89.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.668 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.61 -30.88 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.488 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.8 m-85 -61.69 -46.97 87.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -84.92 -40.92 7.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 95' ' ' GLY . 39.2 tttp -34.47 -58.35 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.7 tpt -64.59 131.34 46.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -49.87 114.53 2.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 100' ' ' LYS . 6.7 ttm180 -127.78 159.86 33.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ARG . 34.3 mmtm -34.4 -45.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.99 90.72 3.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -124.29 92.64 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -63.55 94.94 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 95.1 p -59.62 139.11 57.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -122.3 146.63 16.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.11 39.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.382 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -161.46 162.34 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.6 p -170.84 144.36 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 1' ' ' GLY . 59.9 m 35.05 51.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -107.73 169.58 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.2 156.18 8.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -173.58 160.05 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.811 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -135.48 178.7 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.15 146.22 2.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.96 132.34 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.3 t -155.82 121.61 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -100.85 92.84 5.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 m -149.36 108.02 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -157.69 138.16 12.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.3 m -159.06 120.5 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 14' ' ' VAL . 33.5 m -126.32 126.9 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.03 -45.86 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.7 p -166.81 155.49 10.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -98.35 89.99 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.6 p -123.42 87.66 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.559 ' CG ' ' HD2' ' A' ' 20' ' ' PRO . 22.8 t80 -38.09 140.32 0.58 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.7 0.762 . . . . 0.0 110.926 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.559 ' HD2' ' CG ' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.74 161.64 45.14 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.6 p -128.05 -26.23 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.3 48.1 3.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 mt -60.61 -21.25 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.916 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.0 m -157.12 129.18 7.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.41 -124.23 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.69 -39.44 5.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.71 139.02 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -124.43 129.96 51.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.405 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 12.8 mm -76.9 145.35 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.537 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.6 m-85 -144.49 141.8 29.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -118.59 147.17 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.05 115.08 27.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.593 HD22 ' CD1' ' A' ' 92' ' ' TRP . 6.3 mt -81.48 -31.72 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -118.12 145.7 44.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.16 128.11 33.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 83.2 t80 -126.46 168.21 14.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 8.5 tt0 -135.02 118.92 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 110.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -64.27 -46.61 82.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 p -128.71 155.03 45.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -43.76 -29.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -67.99 -38.75 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -74.6 148.68 40.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.626 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -93.03 130.25 38.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 p -87.41 113.17 22.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.699 ' CD1' HG22 ' A' ' 76' ' ' ILE . 17.8 p90 -126.43 163.98 22.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -125.91 165.19 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -66.12 108.09 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.95 21.99 8.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 tp10 -112.45 142.3 45.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 22.3 mtt85 -94.98 160.01 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 39.8 m-85 -157.71 135.4 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -81.91 111.76 18.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.468 HG13 ' CD1' ' A' ' 30' ' ' PHE . 43.9 mm -66.61 106.04 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 66' ' ' ARG . 16.4 mt -82.48 -50.64 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -135.15 125.27 26.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.552 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 42.3 p30 -125.27 41.68 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.0 t -68.96 -45.2 71.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.474 ' N ' HG23 ' A' ' 58' ' ' THR . 9.7 pt-20 -107.57 122.23 46.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.9 -41.71 96.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -38.87 -52.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.336 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.544 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 58.1 m95 -147.18 133.38 19.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.586 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.9 m0 -111.34 141.0 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -87.68 115.54 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -132.28 159.37 39.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.649 ' HB2' HD11 ' A' ' 55' ' ' ILE . 12.9 ttt180 -120.1 105.95 11.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 m -43.74 139.63 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mt -94.75 -23.51 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.26 -63.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -80.34 -35.15 35.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.22 15.78 46.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -75.41 173.61 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.4 p -155.53 138.45 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.465 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.6 -133.12 1.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.503 ' H ' ' N ' ' A' ' 44' ' ' LEU . 21.6 m-85 -132.53 127.15 34.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.911 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.699 HG22 ' CD1' ' A' ' 46' ' ' PHE . 26.6 pt -121.81 140.21 31.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.544 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.3 Cg_endo -69.75 122.14 8.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.306 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.586 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 59.7 p -66.89 -4.45 9.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -88.67 -3.06 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.74 -34.06 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.595 HG21 HD12 ' A' ' 76' ' ' ILE . 35.8 m -102.3 146.59 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.36 153.17 72.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.0 Cg_endo -69.79 133.86 26.53 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -5.18 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.82 -41.74 8.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.2 23.56 14.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.454 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -33.62 103.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -78.04 -28.44 49.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -110.58 25.68 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.648 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.81 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 89' ' ' ALA . 49.6 mt-10 -39.15 -30.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.67 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 33.6 p-90 -62.33 -45.19 94.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.67 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.23 -32.19 38.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 11.2 m-85 -60.03 -53.05 62.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.75 -38.89 10.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -94.17 111.86 23.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.9 mtp -43.27 120.93 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.6 -54.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.543 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -174.15 140.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.14 134.8 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' ALA . 9.2 p-10 -142.79 106.49 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' ASP . . . -37.74 112.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -158.63 118.42 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.8 t -74.58 96.62 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -93.17 145.67 17.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -34.55 14.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.264 . . . . 0.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.9 p -71.82 133.06 45.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -114.63 84.23 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -145.35 150.34 36.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -78.19 -47.9 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.31 130.73 1.61 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -153.12 137.56 16.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 m -148.07 163.1 37.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.46 -152.72 22.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.01 177.2 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -106.09 -44.45 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.8 p -149.52 134.23 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' PHE . 86.6 p -114.01 110.1 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.825 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' SER . 4.7 t80 -35.42 134.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.4 p -128.86 150.99 50.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -124.68 132.37 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.47 88.91 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.188 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 m -140.27 141.4 35.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t 40.1 46.35 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -62.15 136.08 57.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -88.88 151.51 47.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.725 0.774 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.447 ' O ' HD21 ' A' ' 23' ' ' LEU . 54.1 Cg_endo -69.72 153.82 68.63 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.3 p -78.13 -176.97 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.83 43.17 96.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.447 HD21 ' O ' ' A' ' 20' ' ' PRO . 62.3 mt -76.44 118.23 18.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.8 p -128.24 104.33 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.28 -125.17 0.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.538 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.68 -42.9 12.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.46 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.2 t -96.35 137.73 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 111.168 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.2 m -110.18 136.3 49.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.8 mm -76.24 135.99 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.4 m-85 -138.57 143.95 39.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -118.73 147.45 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -90.74 111.45 22.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.758 HD11 ' CG1' ' A' ' 82' ' ' VAL . 9.8 mt -76.6 -33.75 58.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -118.32 154.76 31.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -85.82 123.35 31.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.575 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 81.9 t80 -122.52 168.17 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 12.5 tt0 -135.14 121.71 20.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.475 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.59 112.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -67.28 -46.97 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' ASP . 31.0 p -130.64 158.02 41.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.6 m -44.12 -32.51 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.188 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.15 -36.79 77.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' THR . 3.9 m-20 -74.22 147.44 42.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.758 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -99.05 125.67 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.475 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 36.5 t -84.69 143.48 29.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.71 ' CE1' HG22 ' A' ' 76' ' ' ILE . 6.2 p90 -154.72 166.7 32.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -126.85 160.08 32.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -60.7 113.08 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.97 28.77 6.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 tp10 -118.54 146.29 44.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.59 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 18.6 mtt85 -100.53 162.2 13.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 19.0 m-85 -160.7 134.99 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 68' ' ' ILE . 43.8 mt-30 -81.49 114.51 20.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.462 HD13 ' HB2' ' A' ' 65' ' ' ALA . 42.9 mm -67.85 106.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.0 mt -81.71 -49.61 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -129.49 133.25 47.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -127.7 36.5 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -84.34 -35.21 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -94.53 96.66 9.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -48.76 -40.5 25.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.507 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -54.65 -54.36 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.52 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 46.6 m95 -135.96 134.3 38.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 48.1 m0 -105.83 143.64 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -91.77 113.19 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.462 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -130.44 160.27 34.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.693 ' HB2' HD11 ' A' ' 55' ' ' ILE . 33.6 ttp180 -119.32 107.02 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.446 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 2.1 m -46.08 134.42 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.464 HD11 ' HG3' ' A' ' 53' ' ' GLN . 10.9 mt -90.98 -37.97 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.61 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.5 p -89.6 -56.74 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.62 21.05 2.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -76.18 175.08 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.0 p -156.23 142.8 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 174.97 -138.01 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.457 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 17.9 m-85 -131.33 113.97 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.758 HG23 ' HB3' ' A' ' 44' ' ' LEU . 22.5 pt -106.31 141.09 22.03 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.732 . . . . 0.0 111.156 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.52 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 120.52 7.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.593 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 66.8 p -66.55 -5.66 12.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -87.93 -2.08 58.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.73 -33.6 4.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 32' ' ' ALA . 27.9 m -102.22 141.65 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.758 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -130.33 153.0 81.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.549 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.84 133.42 25.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.316 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.57 -6.53 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -95.63 -41.75 8.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.52 25.57 11.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.438 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.24 103.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -77.06 -21.93 53.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.517 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -119.48 27.49 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.636 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.5 pt-20 -34.82 -31.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ALA . 44.3 mt-10 -37.15 -33.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.69 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.3 p-90 -62.63 -48.01 81.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.69 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -78.4 -31.11 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.83 -45.15 95.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -82.7 -36.97 14.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' GLY . 4.9 tptm -33.43 -69.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 36.9 ttm -95.17 155.03 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.37 -118.8 6.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -124.46 169.0 12.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.86 166.11 32.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.54 -60.86 2.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -168.53 145.23 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -138.58 149.26 45.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.3 p -122.39 138.94 54.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.27 125.85 1.39 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -48.54 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.353 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.5 m -69.45 108.06 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.4 m -62.02 -43.78 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -109.12 165.68 11.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -147.17 161.21 41.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.04 41.25 1.56 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -148.53 143.81 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.351 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -146.93 145.62 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.9 141.55 6.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.06 166.12 10.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.0 t -92.47 -53.19 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.0 p -104.44 102.54 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -73.09 154.28 40.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -114.95 136.51 53.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.0 m -69.28 -69.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -129.03 132.75 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.5 m -130.53 37.78 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.3 m -96.19 119.41 34.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -170.73 175.95 4.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.0 p -165.95 118.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -120.95 151.65 55.25 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.785 ' HG2' HD21 ' A' ' 23' ' ' LEU . 53.9 Cg_endo -69.7 -172.49 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.7 p -123.12 -178.03 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.43 58.77 3.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.785 HD21 ' HG2' ' A' ' 20' ' ' PRO . 79.7 mt -90.21 -21.1 22.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.9 m -142.85 148.88 37.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.5 64.51 0.27 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.529 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.35 -56.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.1 t -102.1 148.96 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -107.34 127.04 53.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.1 mm -70.93 132.96 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.2 m-85 -135.56 143.48 45.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.0 t -117.74 147.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.87 110.15 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.058 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.652 HD11 ' CG1' ' A' ' 82' ' ' VAL . 10.0 mt -78.0 -33.8 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.49 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.3 m-85 -116.9 149.7 39.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.67 125.42 30.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.9 t80 -123.2 169.04 11.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.508 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 28.6 tt0 -137.7 118.38 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.62 106.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -64.83 -45.09 87.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 p -132.25 151.34 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -41.74 -27.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -66.07 -43.22 88.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -77.61 153.35 33.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.649 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -94.93 132.62 39.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.483 ' H ' HD23 ' A' ' 44' ' ' LEU . 3.3 p -86.87 115.65 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.718 ' CD1' HG22 ' A' ' 76' ' ' ILE . 22.4 p90 -131.01 173.09 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -138.94 163.36 32.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -61.63 116.72 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.19 28.1 8.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 19.0 tt0 -123.05 133.07 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 46.0 mtt180 -86.57 164.49 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.645 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 64.1 m-85 -160.22 135.44 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.55 114.02 20.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.09 110.48 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.75 HD11 ' HB2' ' A' ' 66' ' ' ARG . 21.2 mt -84.71 -52.73 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -131.7 129.5 40.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -120.57 42.72 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.3 t -87.82 -33.87 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -98.7 98.55 9.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.15 -44.13 42.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -51.44 -51.28 56.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.482 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 46.0 m95 -139.97 131.33 26.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.502 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.4 m0 -104.72 142.64 34.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -89.15 113.7 24.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.53 166.25 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.75 ' HB2' HD11 ' A' ' 55' ' ' ILE . 7.0 ttt180 -127.01 103.33 7.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.48 143.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.0 mt -93.43 -62.1 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.7 -64.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.1 p -76.78 -57.83 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.55 15.21 7.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -70.79 175.53 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.1 p -154.73 143.32 20.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.477 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.89 -140.93 5.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.485 ' H ' ' N ' ' A' ' 44' ' ' LEU . 23.4 m-85 -128.52 121.0 27.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.945 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.718 HG22 ' CD1' ' A' ' 46' ' ' PHE . 30.4 pt -112.24 140.35 23.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.538 ' HD2' ' CZ ' ' A' ' 46' ' ' PHE . 53.5 Cg_endo -69.75 116.85 4.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 80.4 p -63.81 -7.1 6.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -86.72 -1.42 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.49 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.2 m-85 -120.02 -34.2 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.499 HG21 HD12 ' A' ' 76' ' ' ILE . 33.1 m -102.09 138.81 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.652 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -127.55 152.88 77.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.542 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.76 131.77 21.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.98 -7.76 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.03 -41.81 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -109.68 28.8 8.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.46 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -40.36 103.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.48 -27.17 46.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -111.97 25.96 11.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.638 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.83 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 89' ' ' ALA . 13.7 mt-10 -38.96 -31.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.698 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 34.5 p-90 -62.05 -47.23 85.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.698 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -77.82 -31.97 51.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.638 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.9 m-85 -60.58 -46.36 90.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -81.05 -39.15 13.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.452 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' GLY . 40.8 tptt -33.76 -68.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.329 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -49.62 138.18 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.31 -55.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -65.02 135.81 56.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -52.46 156.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -150.76 153.53 35.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -122.27 143.82 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -174.9 169.79 3.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.1 m -155.02 137.49 15.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.92 65.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -178.02 2.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.733 2.288 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.3 t -160.38 112.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.4 p -108.1 170.74 7.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.422 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.6 mm -77.93 136.89 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.518 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.9 m-85 -139.43 142.89 37.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.03 144.46 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -92.21 116.54 29.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.588 HD22 ' CD1' ' A' ' 92' ' ' TRP . 5.0 mt -83.96 -31.61 25.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.545 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 2.8 m-85 -115.68 141.51 47.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.72 120.33 20.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.586 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 87.9 t80 -117.78 168.86 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 7.8 tt0 -135.1 120.31 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.06 111.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -66.54 -47.08 74.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.1 p -131.43 158.98 39.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.424 ' H ' HG23 ' A' ' 41' ' ' THR . 1.5 p -44.24 -36.06 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -62.64 -37.96 88.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.28 154.88 38.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.592 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -101.57 129.32 47.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.45 ' O ' ' NZ ' ' A' ' 72' ' ' LYS . 89.1 p -84.18 114.38 21.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.696 ' CD1' HG22 ' A' ' 76' ' ' ILE . 41.4 p90 -132.61 161.93 32.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 37.4 mmtm -129.13 166.19 19.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.65 109.22 1.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.85 23.82 6.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 32.9 tt0 -117.07 137.85 52.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 mtt85 -93.01 158.17 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.593 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 37.6 m-85 -156.19 138.2 14.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.04 111.39 18.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.414 HG13 ' CD1' ' A' ' 30' ' ' PHE . 44.1 mm -67.3 106.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.688 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.8 mt -83.38 -48.72 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -132.93 126.54 32.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.548 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 4.4 p30 -127.79 45.02 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 59' ' ' GLU . 9.1 t -74.59 -51.04 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.573 ' N ' HG23 ' A' ' 58' ' ' THR . 6.4 pt-20 -101.74 119.11 38.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.405 ' HA2' ' NE1' ' A' ' 63' ' ' TRP . . . -55.29 -39.48 72.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.94 -58.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 41.9 m95 -143.3 131.34 21.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 40.3 m0 -108.88 142.74 39.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -87.74 118.69 27.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -133.69 162.56 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.688 ' HB2' HD11 ' A' ' 55' ' ' ILE . 10.9 ttt85 -124.85 103.36 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 m -41.26 140.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mt -93.41 -29.24 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.02 -68.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.3 p -75.52 -34.55 60.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.29 17.62 42.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 45' ' ' SER . 9.3 mtmp? -75.29 173.93 10.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.6 p -156.12 138.96 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.9 -134.75 2.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.441 ' H ' ' N ' ' A' ' 44' ' ' LEU . 27.0 m-85 -132.18 129.68 40.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.696 HG22 ' CD1' ' A' ' 46' ' ' PHE . 41.4 pt -125.47 140.99 37.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.82 124.03 10.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.573 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 91.7 p -68.95 -3.11 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -90.18 -3.02 58.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.545 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.3 m-85 -117.99 -34.18 4.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.8 143.84 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.45 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -133.91 152.89 79.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.613 0.72 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.518 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.8 134.73 28.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -5.62 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -96.84 -41.62 8.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.37 25.72 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.451 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -35.51 103.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -77.45 -18.51 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -121.04 25.77 9.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.1 pt-20 -35.43 -30.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 46.4 mt-10 -38.34 -32.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.671 ' CZ3' ' CB ' ' A' ' 93' ' ' TYR . 27.7 p-90 -62.74 -45.1 94.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.671 ' CB ' ' CZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.66 -31.29 32.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.523 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.7 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.9 mm -73.77 138.07 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.0 m-85 -139.02 143.27 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.31 145.77 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.432 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -91.86 120.27 32.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.586 HD22 ' CD1' ' A' ' 92' ' ' TRP . 8.5 mt -87.37 -33.14 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -116.29 149.32 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -79.0 122.96 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.586 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 90.1 t80 -125.47 165.22 18.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 11.4 tp10 -137.45 120.9 17.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HB2' ' C ' ' A' ' 44' ' ' LEU . . . -51.77 106.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -59.15 -45.81 89.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.3 p -128.77 155.98 44.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 t -43.87 -28.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -67.79 -39.39 84.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -74.44 161.2 30.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.637 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -106.3 132.02 52.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.448 ' H ' HD23 ' A' ' 44' ' ' LEU . 62.8 m -84.24 118.6 24.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.768 ' CD1' HG22 ' A' ' 76' ' ' ILE . 41.2 p90 -138.82 154.69 48.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 63.8 mmtt -120.81 168.7 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.02 110.91 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.34 24.1 7.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 19.1 tt0 -116.31 136.99 52.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -92.45 154.74 18.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 42.9 m-85 -152.09 136.37 16.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -81.86 113.87 20.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.412 HG13 ' CD1' ' A' ' 30' ' ' PHE . 45.9 mm -68.3 109.46 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.658 HD11 ' HB2' ' A' ' 66' ' ' ARG . 21.8 mt -85.97 -54.87 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -125.14 125.89 44.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -120.32 46.26 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 t -91.15 -42.9 10.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -87.74 98.98 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.4 -32.01 29.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.52 -51.75 61.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.504 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 49.2 m95 -138.15 129.5 27.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.8 m0 -104.79 145.96 29.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -92.72 117.43 29.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.4 162.78 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.658 ' HB2' HD11 ' A' ' 55' ' ' ILE . 33.5 ttp180 -122.11 105.89 10.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.46 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 3.7 m -44.46 136.23 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.8 mt -88.68 -42.55 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.59 -64.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -75.87 -56.81 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.13 15.9 7.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -78.27 176.67 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 p -154.48 141.2 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.479 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.32 -136.88 2.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -132.53 120.41 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.768 HG22 ' CD1' ' A' ' 46' ' ' PHE . 28.4 pt -112.7 141.17 24.89 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.72 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 46' ' ' PHE . 53.7 Cg_endo -69.81 123.96 10.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.372 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 40.8 p -69.85 -1.78 10.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -92.17 -2.09 56.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -118.71 -33.71 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.517 HG21 HD12 ' A' ' 76' ' ' ILE . 30.6 m -102.85 148.05 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.1 153.0 74.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.8 133.06 24.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.37 -6.77 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -95.07 -41.71 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -109.25 26.11 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.443 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -36.6 103.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -77.89 -22.11 50.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -118.82 27.02 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.642 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.29 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 89' ' ' ALA . 28.0 mt-10 -37.57 -32.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.675 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.4 p-90 -62.94 -46.03 89.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.675 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.59 -31.31 36.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.49 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' HA ' HD13 ' A' ' 29' ' ' ILE . 13.3 mm -73.09 138.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.537 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.6 m-85 -139.39 143.37 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.67 146.56 24.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.55 113.94 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.597 HD11 ' CG1' ' A' ' 82' ' ' VAL . 6.1 mt -80.22 -35.16 36.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -113.85 149.34 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -80.17 118.3 21.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 91.2 t80 -115.11 165.06 13.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 4.8 tt0 -135.29 118.65 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.87 121.45 6.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -75.98 -42.95 46.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 p -129.85 -174.81 3.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 m -64.13 -45.56 87.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -60.89 -25.95 67.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -78.4 139.3 38.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.551 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -93.52 130.44 39.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.0 p -85.82 116.19 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.71 ' CD1' HG22 ' A' ' 76' ' ' ILE . 36.2 p90 -135.56 159.35 41.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -128.52 166.52 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 33' ' ' LEU . 48.7 tttm -63.23 115.2 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.73 24.16 8.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.476 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 12.6 tt0 -119.0 137.22 53.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 18.2 mtt85 -92.85 162.01 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.618 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 48.2 m-85 -158.47 135.2 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -81.62 113.3 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.412 HD13 ' HB2' ' A' ' 65' ' ' ALA . 46.7 mm -66.63 105.02 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.712 HD11 ' HB2' ' A' ' 66' ' ' ARG . 15.8 mt -81.36 -48.7 18.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -134.67 131.14 37.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -123.66 42.92 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 59' ' ' GLU . 9.7 t -84.26 -43.32 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 58' ' ' THR . 5.4 mm-40 -87.68 102.22 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.4 -43.38 51.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -53.87 -54.19 42.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.513 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 31.3 m95 -134.81 137.58 43.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.423 ' CH2' ' OG ' ' A' ' 78' ' ' SER . 45.6 m0 -110.25 151.61 27.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.41 118.07 33.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.412 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -135.15 164.83 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.712 ' HB2' HD11 ' A' ' 55' ' ' ILE . 7.7 ttt180 -124.78 105.9 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.61 138.41 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.8 mt -93.29 -30.53 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.22 -63.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.3 p -80.12 -45.26 18.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.24 31.56 4.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -94.9 176.34 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.3 p -154.26 142.28 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.33 -135.76 2.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -132.8 119.95 20.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.71 HG22 ' CD1' ' A' ' 46' ' ' PHE . 34.0 pt -114.47 141.26 26.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.513 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.78 122.84 9.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.423 ' OG ' ' CH2' ' A' ' 63' ' ' TRP . 29.0 t -68.56 -2.23 8.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -91.48 -2.32 57.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.92 -33.96 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.434 HG21 HD12 ' A' ' 76' ' ' ILE . 33.5 m -102.33 140.43 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.597 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -129.45 152.57 79.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.0 Cg_endo -69.73 134.34 27.8 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.99 -6.35 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.09 -42.06 8.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.17 26.2 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.438 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 1.0 OUTLIER -35.9 103.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.18 -19.84 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.55 26.37 9.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.638 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.6 pt-20 -34.98 -31.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 89' ' ' ALA . 44.6 mt-10 -37.07 -32.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.673 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.3 p-90 -63.13 -46.22 88.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.673 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.72 -31.17 36.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.775 0.321 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 29' ' ' ILE . 13.2 mm -77.86 138.75 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.3 m-85 -140.98 142.53 34.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.06 146.19 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -92.1 110.6 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 92' ' ' TRP . 14.0 mt -74.22 -33.11 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -118.99 148.15 43.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.38 117.27 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 64.7 t80 -114.33 162.4 16.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 14.9 tt0 -130.99 121.5 25.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.449 ' CB ' ' HB3' ' A' ' 45' ' ' SER . . . -51.41 122.77 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -78.11 -37.37 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.2 p -133.35 -174.74 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -71.87 -32.22 67.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.95 -20.82 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.27 140.87 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.619 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -90.49 126.86 36.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 55.3 p -89.13 112.68 23.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.637 ' CD1' HG22 ' A' ' 76' ' ' ILE . 7.1 p90 -122.39 168.77 11.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -128.79 164.46 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -64.66 114.94 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.01 21.82 17.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.7 tp10 -111.93 140.69 46.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 33.9 mtt180 -95.5 163.3 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 30.8 m-85 -160.55 136.61 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.58 111.69 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' A' ' 65' ' ' ALA . 52.2 mm -66.03 104.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 66' ' ' ARG . 17.7 mt -80.18 -45.75 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -142.77 129.46 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.408 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 26.4 p30 -122.57 42.76 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 59' ' ' GLU . 5.6 t -79.31 -42.6 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 58' ' ' THR . 28.1 mt-10 -87.69 101.84 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.01 -36.92 28.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -60.11 -51.24 70.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.826 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.527 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 26.6 m95 -139.49 137.98 35.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.457 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 44.0 m0 -111.5 148.34 33.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.5 116.05 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.532 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -135.59 159.45 41.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.553 ' HB2' HD11 ' A' ' 55' ' ' ILE . 43.1 ttp180 -122.3 106.74 11.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -46.24 139.36 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.1 mt -94.1 -21.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.36 -61.73 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 p -83.13 -28.6 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.47 10.8 67.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -70.86 172.06 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.416 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 36.0 p -153.23 144.43 23.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.484 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 170.76 -140.03 5.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.474 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 27.2 m-85 -125.99 127.45 45.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.948 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.637 HG22 ' CD1' ' A' ' 46' ' ' PHE . 35.4 pt -120.78 139.56 29.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.527 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.75 125.2 11.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.457 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 84.5 p -69.22 -10.65 58.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -83.06 -1.63 53.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -120.22 -36.01 3.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 HD12 ' A' ' 76' ' ' ILE . 26.8 m -102.21 140.54 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -130.83 153.06 81.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.717 . . . . 0.0 111.195 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.498 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.74 134.67 28.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.5 -5.0 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -96.91 -41.74 8.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.22 23.16 14.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.13 103.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.078 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -78.1 -20.63 51.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.29 26.86 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.638 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.2 pt-20 -35.28 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 42.2 mt-10 -37.54 -33.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.683 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.8 p-90 -61.44 -46.26 90.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.683 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.05 -31.91 39.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.55 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 10.1 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.778 0.323 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 29' ' ' ILE . 10.0 mm -74.4 137.4 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.9 m-85 -139.02 143.05 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -117.93 145.27 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.86 116.5 27.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.046 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 92' ' ' TRP . 9.9 mt -82.89 -34.25 26.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.532 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.4 m-85 -117.49 150.67 38.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -81.37 121.17 25.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 90.8 t80 -121.63 150.43 41.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -118.81 121.03 39.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.81 106.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -60.99 -46.77 89.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 43' ' ' ASP . 21.2 p -131.37 153.05 50.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -42.22 -26.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -69.67 -41.46 75.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' THR . 2.7 m-20 -73.52 155.07 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.564 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -96.6 131.25 43.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.517 ' N ' HD23 ' A' ' 44' ' ' LEU . 45.7 p -87.48 114.48 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.672 ' CD1' HG22 ' A' ' 76' ' ' ILE . 25.9 p90 -134.51 159.77 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -127.41 161.08 29.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -58.24 119.27 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.85 21.37 18.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.95 134.87 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.83 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.515 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 71.3 mtt180 -92.38 164.78 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 42.5 m-85 -160.15 144.74 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -88.4 111.5 21.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 mm -66.12 105.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 66' ' ' ARG . 11.9 mt -81.77 -45.67 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -140.83 128.89 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.569 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 24.8 p30 -126.56 42.86 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.529 HG23 ' N ' ' A' ' 59' ' ' GLU . 6.9 t -68.61 -49.76 56.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.529 ' N ' HG23 ' A' ' 58' ' ' THR . 11.6 pt-20 -105.65 122.0 45.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' ASP . . . -56.78 -45.2 91.44 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' GLY . 10.8 m-20 -35.29 -52.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 34.5 m95 -148.45 133.47 18.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.4 m0 -110.29 141.46 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -85.89 114.18 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.34 165.26 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.663 ' HB2' HD11 ' A' ' 55' ' ' ILE . 25.5 ttm-85 -128.91 106.69 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -39.15 142.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mt -96.68 -29.56 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.88 -60.82 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.7 p -78.23 -48.34 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.18 11.46 23.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -71.12 175.94 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.439 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 35.2 p -155.63 144.18 20.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.489 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.6 -143.76 7.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.438 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 30.2 m-85 -128.12 117.72 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.947 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.672 HG22 ' CD1' ' A' ' 46' ' ' PHE . 43.4 pt -111.89 139.96 22.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.82 123.02 9.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 53.1 p -66.66 -4.7 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -85.22 -15.88 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.532 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.4 m-85 -105.89 -32.65 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.523 HG11 HD12 ' A' ' 76' ' ' ILE . 34.8 m -102.25 150.87 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -140.69 152.99 67.44 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.632 0.73 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.79 133.38 25.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.53 -6.5 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -95.76 -41.8 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.4 25.64 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.436 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.36 103.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -77.6 -20.95 53.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -119.89 26.86 9.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.635 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -34.97 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ALA . 27.1 mt-10 -37.39 -31.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.669 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 28.4 p-90 -64.0 -45.79 87.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.669 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.97 -30.97 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.759 0.314 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.415 ' HA ' HD13 ' A' ' 29' ' ' ILE . 12.2 mm -77.78 137.06 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.3 m-85 -139.9 144.34 37.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -118.96 147.59 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.21 114.07 26.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.594 HD22 ' CD1' ' A' ' 92' ' ' TRP . 9.6 mt -76.22 -37.1 58.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.9 154.89 27.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.02 114.56 23.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 78.6 t80 -114.33 166.81 11.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.501 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 28.2 tt0 -133.71 123.24 24.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.96 114.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -61.96 -44.0 97.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 p -137.26 -178.44 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.3 t -62.71 -19.8 64.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' ' CD2' ' A' ' 75' ' ' TYR . 4.6 pt-20 -80.9 -29.86 35.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -84.33 149.46 26.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.584 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -97.39 129.61 44.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.458 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 3.7 m -87.52 114.21 23.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.68 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 22.4 p90 -128.7 151.24 49.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -111.63 160.9 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -62.08 112.82 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.65 20.38 13.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 5.0 tp10 -111.43 138.25 48.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 43.6 mtt180 -90.84 163.61 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 48.8 m-85 -159.85 136.91 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' HG3' HD11 ' A' ' 68' ' ' ILE . 53.4 mt-30 -82.35 111.71 18.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.414 HD13 ' HB2' ' A' ' 65' ' ' ALA . 46.0 mm -67.23 106.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.3 mt -82.57 -46.36 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -140.27 126.44 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.554 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 25.5 p30 -127.68 46.75 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.6 t -73.71 -45.65 50.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.484 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 12.9 pt-20 -105.49 120.63 42.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' ASP . . . -55.15 -41.77 79.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' GLY . 19.2 m-20 -38.11 -59.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 36.4 m95 -143.41 133.46 24.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 44.0 m0 -111.16 137.55 48.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.18 122.4 27.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.414 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -139.93 161.75 36.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' A' ' 55' ' ' ILE . 27.8 ttm180 -124.06 108.45 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.1 t -45.1 134.83 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.813 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.431 HD11 ' HG3' ' A' ' 53' ' ' GLN . 9.9 mt -89.12 -33.85 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.57 -63.2 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.1 p -77.83 -52.51 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.77 13.23 11.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -74.6 176.58 6.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 p -154.23 145.16 22.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.482 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 172.44 -145.37 8.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 24.9 m-85 -126.17 122.66 36.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.677 HG22 ' CD1' ' A' ' 46' ' ' PHE . 37.6 pt -114.58 142.07 27.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 123.76 10.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.334 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 14.9 p -68.52 -3.72 12.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.62 -2.72 58.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -119.23 -32.52 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.61 HG11 HD12 ' A' ' 76' ' ' ILE . 31.2 m -102.25 152.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -144.03 152.96 56.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.606 0.717 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.8 133.89 26.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.6 -5.77 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -96.13 -41.75 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.57 25.12 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.439 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.82 103.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -77.38 -25.18 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -116.08 27.51 9.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.637 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.07 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 3.7 mm-40 -37.78 -32.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.665 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.0 p-90 -63.12 -45.77 90.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.665 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.06 -31.14 34.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.903 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.3 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.826 0.346 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.407 ' HA ' HD13 ' A' ' 29' ' ' ILE . 10.5 mm -72.01 137.36 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.5 m-85 -139.08 145.07 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.37 146.46 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -90.19 112.67 24.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.693 HD11 ' CG1' ' A' ' 82' ' ' VAL . 11.2 mt -77.09 -36.3 55.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.431 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.2 m-85 -116.12 150.7 36.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.13 114.46 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.581 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 85.3 t80 -110.42 168.96 9.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.513 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 20.3 tt0 -135.18 118.26 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.64 117.75 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.2 mtt-85 -65.15 -44.51 88.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 p -138.09 -176.15 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 42' ' ' GLU . 9.7 t -57.98 -43.8 86.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 41' ' ' THR . 4.6 pt-20 -60.41 -34.03 73.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -73.74 143.68 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.564 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -95.01 124.65 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.432 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 60.0 p -83.23 113.49 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.708 ' CD1' HG22 ' A' ' 76' ' ' ILE . 45.6 p90 -130.76 161.18 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 64.4 mmtt -129.83 166.48 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -62.56 117.94 6.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.34 15.71 31.78 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 6.9 tt0 -110.1 135.9 50.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.514 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 49.4 mtt180 -93.9 163.83 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 38.3 m-85 -160.01 136.54 8.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.542 ' HG3' HD11 ' A' ' 68' ' ' ILE . 53.5 mt-30 -81.77 113.54 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.439 HD13 ' HB2' ' A' ' 65' ' ' ALA . 46.7 mm -67.11 105.43 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.642 HD11 ' HB2' ' A' ' 66' ' ' ARG . 12.0 mt -80.77 -49.56 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -136.63 126.39 25.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -122.77 45.06 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.4 t -81.42 -42.0 21.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 58' ' ' THR . 27.3 mt-10 -95.3 108.11 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.82 -46.22 54.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -44.27 -59.32 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 40.6 m95 -133.33 140.8 47.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.455 ' CH2' ' OG ' ' A' ' 78' ' ' SER . 44.5 m0 -114.22 144.78 42.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -91.88 118.42 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.439 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -136.26 164.15 28.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.642 ' HB2' HD11 ' A' ' 55' ' ' ILE . 19.1 ttp-105 -123.58 104.1 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -42.95 138.03 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.542 HD11 ' HG3' ' A' ' 53' ' ' GLN . 6.1 mt -97.32 -25.17 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.67 -48.73 30.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.085 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.2 p -100.58 -42.53 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.33 14.24 18.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -73.55 176.61 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.6 p -155.34 140.57 17.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.471 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 178.05 -145.34 6.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -127.42 117.36 22.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.708 HG22 ' CD1' ' A' ' 46' ' ' PHE . 37.5 pt -110.41 142.23 25.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.66 0.743 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.73 125.74 12.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.455 ' OG ' ' CH2' ' A' ' 63' ' ' TRP . 32.2 t -69.87 -4.94 22.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -88.48 -2.67 58.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.431 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 4.3 m-85 -119.3 -32.34 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.593 HG11 HD12 ' A' ' 76' ' ' ILE . 30.4 m -102.27 147.82 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.693 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -138.29 152.83 72.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.558 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.7 Cg_endo -69.79 134.82 28.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.42 -5.03 4.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.01 -41.64 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -108.38 23.44 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.5 103.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -77.34 -23.59 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -117.81 27.44 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.637 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.1 pt-20 -34.77 -31.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 4.5 mp0 -37.2 -33.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.678 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.1 p-90 -61.9 -46.63 88.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.678 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.93 -31.58 40.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.451 ' CD2' ' HB2' ' A' ' 90' ' ' GLU . 8.1 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.75 0.309 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' A' ' 29' ' ' ILE . 12.2 mm -78.13 138.28 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.477 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.3 m-85 -140.63 143.88 35.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.49 146.3 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.92 115.34 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.605 HD11 ' CG1' ' A' ' 82' ' ' VAL . 9.5 mt -79.55 -36.94 37.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -115.04 152.51 32.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -81.05 128.46 33.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.9 t80 -124.69 168.86 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.519 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 2.0 tp10 -136.04 121.77 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.01 111.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 16.9 mtm105 -63.31 -42.07 99.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.0 p -138.88 -175.02 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -64.14 -33.3 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -71.29 -23.82 62.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -84.92 144.06 28.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.576 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -94.66 129.95 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.9 p -86.84 114.19 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.716 ' CD1' HG22 ' A' ' 76' ' ' ILE . 30.2 p90 -130.05 168.27 17.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -134.17 160.47 37.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -61.48 112.35 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.91 18.18 11.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.7 tt0 -113.5 140.41 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 57.5 mtt180 -96.28 161.32 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.558 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 32.7 m-85 -157.82 141.4 15.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -85.63 110.19 19.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.1 mm -64.25 106.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.734 HD11 ' HB2' ' A' ' 66' ' ' ARG . 16.6 mt -83.12 -48.15 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -136.01 130.53 33.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -123.62 42.16 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 59' ' ' GLU . 10.0 t -83.06 -44.27 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.473 ' N ' HG23 ' A' ' 58' ' ' THR . 14.8 mt-10 -84.43 100.02 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.79 -36.4 26.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.99 -55.56 31.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.541 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 35.8 m95 -132.87 135.69 45.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 49.9 m0 -108.47 144.17 36.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -90.39 121.97 32.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.76 160.37 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.734 ' HB2' HD11 ' A' ' 55' ' ' ILE . 10.7 ttt180 -121.53 106.07 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.4 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 1.3 m -45.13 142.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.4 mt -93.86 -32.37 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.26 -56.45 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.2 p -80.59 -24.64 38.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.98 13.02 83.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -71.64 175.65 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 p -157.0 141.44 16.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 170.88 -136.47 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -131.84 128.47 38.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.716 HG22 ' CD1' ' A' ' 46' ' ' PHE . 35.7 pt -120.7 142.77 34.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 111.101 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.541 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.72 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.2 p -64.67 -6.22 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -87.21 -2.16 58.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -119.26 -30.96 4.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.491 HG11 HD12 ' A' ' 76' ' ' ILE . 30.9 m -104.5 141.71 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.605 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -131.48 152.84 81.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 111.176 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.477 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.74 133.94 26.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.316 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -5.64 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -96.25 -41.67 8.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.63 23.72 14.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.7 103.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.04 -25.0 52.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -116.87 28.24 8.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.637 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.9 pt-20 -35.24 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ALA . 28.1 mt-10 -37.78 -33.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.683 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 28.4 p-90 -62.37 -46.52 88.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.683 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.02 -31.24 39.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.501 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.6 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.1 mm -71.53 134.05 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.541 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.4 m-85 -137.25 141.67 42.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 t -118.43 144.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -89.02 113.78 24.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.625 HD11 ' CG1' ' A' ' 82' ' ' VAL . 13.2 mt -78.76 -36.04 43.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.422 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.1 m-85 -117.38 145.73 43.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -71.79 135.97 46.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 80.3 t80 -136.23 154.74 50.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -122.81 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -52.27 106.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -51.18 -24.25 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 t -173.72 165.4 4.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.2 p -37.69 -46.81 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -48.36 -49.27 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -76.95 162.32 27.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -104.74 130.3 52.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.459 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 95.8 p -86.03 117.7 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.624 ' CD1' HG22 ' A' ' 76' ' ' ILE . 40.3 p90 -135.58 154.08 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -116.86 166.87 11.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -65.06 112.66 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.68 26.04 7.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 1.7 tp10 -115.19 139.63 49.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 27.7 mtt180 -93.33 160.83 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 46' ' ' PHE . 30.2 m-85 -160.62 137.41 8.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -84.37 113.31 21.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.413 HD13 ' HB2' ' A' ' 65' ' ' ALA . 48.5 mm -65.69 108.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.629 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.3 mt -82.34 -51.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.64 131.11 44.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -122.49 45.44 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 t -91.73 -41.2 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -88.57 99.21 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.33 -47.19 35.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -49.04 -54.37 16.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 25.9 m95 -136.69 138.13 40.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.514 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 47.6 m0 -109.34 144.66 37.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -91.37 117.44 29.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -134.46 169.17 17.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.629 ' HB2' HD11 ' A' ' 55' ' ' ILE . 27.9 ttm180 -128.48 105.47 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -45.85 141.91 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.3 mt -97.33 -27.11 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.33 -67.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -78.14 -44.23 26.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.89 31.35 5.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -93.21 176.46 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.6 p -154.0 142.3 20.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.477 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 177.03 -136.15 3.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.482 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.46 ' H ' ' N ' ' A' ' 44' ' ' LEU . 15.5 m-85 -132.52 123.68 27.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.624 HG22 ' CD1' ' A' ' 46' ' ' PHE . 35.9 pt -118.14 139.68 26.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.678 0.752 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.79 119.83 6.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.514 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 59.9 p -64.33 -8.22 12.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -83.36 -8.02 59.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.422 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.8 m-85 -113.76 -33.96 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 76' ' ' ILE . 32.7 m -102.69 139.09 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.625 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -128.09 152.84 78.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.541 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.4 Cg_endo -69.79 132.13 22.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.94 -7.35 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -94.92 -40.85 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -111.62 29.87 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.446 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -40.79 103.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -77.22 -19.94 55.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -119.95 26.08 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.642 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.26 -30.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 89' ' ' ALA . 53.6 mt-10 -37.67 -32.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.687 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.6 p-90 -62.8 -46.47 87.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.687 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.9 -31.27 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.7 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.744 0.307 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.416 ' HA ' HD13 ' A' ' 29' ' ' ILE . 12.0 mm -79.34 138.48 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.3 m-85 -141.76 143.14 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -117.89 147.27 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.84 115.61 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 92' ' ' TRP . 12.5 mt -80.66 -35.28 34.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.447 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.9 m-85 -114.15 151.8 32.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -84.92 128.12 34.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 78.9 t80 -130.61 168.59 16.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.546 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 35.8 tp10 -136.47 121.42 18.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.519 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.45 112.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -64.85 -46.92 79.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.6 p -128.28 162.26 27.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -48.21 -32.73 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.52 -32.85 73.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.08 159.55 30.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.652 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -111.79 126.23 54.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.519 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 4.7 t -86.24 139.74 30.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CE1' HG22 ' A' ' 76' ' ' ILE . 3.9 p90 -151.04 166.25 31.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -126.76 157.01 40.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -58.46 106.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.16 29.35 4.31 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -117.59 147.71 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.522 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 9.6 mtt85 -101.45 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 16.2 m-85 -161.04 136.09 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.629 ' HG3' HD11 ' A' ' 68' ' ' ILE . 36.8 mt-30 -81.75 113.19 19.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.9 mm -65.88 106.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.743 HD11 ' HB2' ' A' ' 66' ' ' ARG . 12.9 mt -83.4 -46.47 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -140.22 125.28 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.457 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 19.5 p30 -126.27 45.01 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.9 t -74.78 -46.2 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.481 ' N ' HG23 ' A' ' 58' ' ' THR . 0.9 OUTLIER -102.81 119.82 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.14 -41.01 94.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' CD1' ' A' ' 62' ' ' TRP . 2.7 m-20 -40.67 -51.35 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 48.7 m95 -148.36 133.25 18.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 46.6 m0 -109.08 141.64 40.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -87.63 114.83 24.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.63 157.23 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.743 ' HB2' HD11 ' A' ' 55' ' ' ILE . 8.2 ttt180 -120.43 104.06 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.471 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 1.2 t -42.71 138.3 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.629 HD11 ' HG3' ' A' ' 53' ' ' GLN . 6.7 mt -96.62 -31.08 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.07 -57.82 4.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 75.9 p -90.89 -44.06 9.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.67 17.33 9.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.581 ' HB3' HD21 ' A' ' 44' ' ' LEU . 55.3 mttt -70.73 167.75 18.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.9 p -156.71 135.55 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.485 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 175.21 -131.43 1.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.486 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 19.4 m-85 -132.33 126.5 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.957 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.652 HG23 ' HB3' ' A' ' 44' ' ' LEU . 31.3 pt -122.25 140.88 33.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.8 118.85 5.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 96.0 p -63.11 -10.03 13.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -82.48 -4.05 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.447 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.7 m-85 -117.32 -31.81 5.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.487 HG11 HD12 ' A' ' 76' ' ' ILE . 31.3 m -102.95 146.45 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.526 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -138.09 153.13 73.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.547 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.76 134.0 26.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.75 -5.58 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -96.26 -41.74 8.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.62 24.98 12.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.444 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.59 103.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -77.12 -20.95 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.08 27.12 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.641 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.8 pt-20 -34.97 -31.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 20.0 mt-10 -37.16 -33.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.694 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.0 p-90 -62.08 -47.78 83.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.694 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -78.53 -31.03 47.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.505 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.3 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.805 0.335 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.4 mm -76.5 139.16 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.4 m-85 -140.67 144.92 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.422 HG22 ' HG2' ' A' ' 51' ' ' ARG . 3.7 t -121.96 146.9 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.48 118.4 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.544 HD22 ' CD1' ' A' ' 92' ' ' TRP . 5.6 mt -85.19 -32.62 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.8 m-85 -114.93 154.19 29.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -83.76 119.81 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 91.1 t80 -120.43 160.2 23.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 19.1 tt0 -129.93 121.26 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -55.03 112.18 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -57.31 -21.21 33.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -171.84 163.57 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.6 m -38.18 -46.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -50.36 -43.1 54.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.6 154.52 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.556 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -97.18 127.58 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.42 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 2.5 p -85.79 111.95 20.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.72 ' CD1' HG22 ' A' ' 76' ' ' ILE . 39.0 p90 -129.11 154.81 46.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -120.65 162.56 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -60.91 108.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.1 35.22 3.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 17.0 tt0 -128.02 135.63 50.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.908 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HG2' HG22 ' A' ' 31' ' ' VAL . 50.8 mtt180 -92.74 155.68 17.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 35.8 m-85 -152.2 144.69 24.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' HG3' HD11 ' A' ' 68' ' ' ILE . 34.6 mt-30 -86.89 108.95 19.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.402 HD13 ' HB2' ' A' ' 65' ' ' ALA . 41.3 mm -64.49 104.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.635 HD11 ' HB2' ' A' ' 66' ' ' ARG . 18.1 mt -81.68 -47.17 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -135.03 124.11 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 25.4 p30 -117.57 38.9 3.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.7 t -85.06 -39.72 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 10.9 mt-10 -94.96 98.86 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.54 -55.18 14.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 17.2 p-10 -40.79 -48.14 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 41.1 m95 -144.35 131.44 20.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.5 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 38.0 m0 -108.79 149.54 28.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -93.66 110.67 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -130.13 153.07 48.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.635 ' HB2' HD11 ' A' ' 55' ' ' ILE . 35.6 ttm180 -117.7 108.29 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.4 t -42.11 135.73 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.465 HD11 ' HG3' ' A' ' 53' ' ' GLN . 5.4 mt -92.37 -24.98 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.04 -61.02 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.3 p -80.85 -51.47 8.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.53 10.71 12.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -70.94 171.91 9.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.0 p -154.47 144.0 21.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.469 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.4 -138.44 4.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.471 ' H ' ' N ' ' A' ' 44' ' ' LEU . 18.5 m-85 -132.45 127.22 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.72 HG22 ' CD1' ' A' ' 46' ' ' PHE . 32.2 pt -120.62 142.3 33.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.78 122.12 8.8 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.5 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 54.4 p -66.86 -4.02 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -89.04 -3.26 58.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.403 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.2 m-85 -118.53 -32.49 4.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.572 HG11 HD12 ' A' ' 76' ' ' ILE . 30.2 m -102.11 147.64 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -138.87 152.67 70.86 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.643 0.735 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.77 133.28 25.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -6.91 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -95.2 -41.53 9.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -109.92 28.02 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.453 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -38.9 104.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.669 ' OE1' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -76.04 -30.2 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.669 ' HB2' ' OE1' ' A' ' 88' ' ' GLN . . . -106.66 24.94 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.62 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -36.29 -28.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 89' ' ' ALA . 25.9 mt-10 -41.44 -32.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.686 ' CZ3' ' CB ' ' A' ' 93' ' ' TYR . 27.4 p-90 -61.82 -44.98 95.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.686 ' CB ' ' CZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.22 -32.09 38.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 9.2 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.769 0.319 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.7 mm -74.98 138.36 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.9 m-85 -139.9 145.39 37.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.99 146.89 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.8 114.37 26.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 92' ' ' TRP . 13.4 mt -79.47 -35.87 39.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -115.19 156.23 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 124.53 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 88.2 t80 -125.23 168.79 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 27.7 tt0 -138.09 120.54 16.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HB3' ' OG ' ' A' ' 45' ' ' SER . . . -51.59 110.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -60.09 -47.52 85.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.4 p -125.54 163.03 23.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -51.57 -23.22 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -76.85 -31.59 56.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.86 150.22 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.653 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -94.95 127.68 41.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.429 ' OG ' ' HB3' ' A' ' 38' ' ' ALA . 6.2 m -87.74 118.27 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.703 ' CD1' HG22 ' A' ' 76' ' ' ILE . 20.9 p90 -132.79 165.25 25.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -131.02 157.9 41.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -58.74 113.53 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.93 25.08 7.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 31.8 tt0 -119.56 139.28 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -94.05 158.58 15.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 36.0 m-85 -156.16 135.63 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' HG3' HD11 ' A' ' 68' ' ' ILE . 48.8 mt-30 -82.42 113.64 20.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.493 HG21 ' ND2' ' A' ' 57' ' ' ASN . 19.4 mm -64.82 112.24 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.737 HD11 ' HB2' ' A' ' 66' ' ' ARG . 15.0 mt -87.74 -49.48 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -137.98 123.26 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.542 ' OD1' ' CG ' ' A' ' 63' ' ' TRP . 8.6 m-20 -120.5 45.22 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.8 t -89.08 -41.04 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.421 ' N ' HG23 ' A' ' 58' ' ' THR . 17.5 mt-10 -91.75 97.11 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -43.93 -49.2 7.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -38.77 -59.97 0.89 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.748 0.309 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 36.4 m95 -138.63 138.65 38.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CG ' ' OD1' ' A' ' 57' ' ' ASN . 46.1 m0 -105.69 144.06 32.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.34 111.35 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.66 163.76 23.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.737 ' HB2' HD11 ' A' ' 55' ' ' ILE . 6.4 ttt85 -125.77 106.71 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t -42.34 141.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.411 HD11 ' HG3' ' A' ' 53' ' ' GLN . 9.5 mt -96.18 -31.52 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.163 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.32 -60.96 2.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.5 p -79.55 -45.37 19.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.09 14.42 24.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -73.68 175.01 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.414 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 42.6 p -155.42 144.01 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.48 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 172.31 -140.12 5.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.48 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 22.0 m-85 -128.22 123.54 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.703 HG22 ' CD1' ' A' ' 46' ' ' PHE . 31.9 pt -118.37 140.97 28.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.77 123.61 10.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.2 p -66.95 -16.72 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -76.8 -2.28 32.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -119.29 -31.82 4.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.636 HG11 HD12 ' A' ' 76' ' ' ILE . 32.6 m -102.13 148.54 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.496 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -140.9 152.93 66.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.76 134.06 27.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.04 -4.92 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -96.91 -39.49 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -111.45 26.92 10.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.46 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -38.56 103.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -78.08 -21.1 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -117.88 25.66 10.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.622 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.92 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 89' ' ' ALA . 52.3 mt-10 -40.03 -32.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.675 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.4 p-90 -61.16 -43.85 98.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.675 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.57 -32.44 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.919 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.622 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.2 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.725 0.298 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.2 mm -79.34 140.72 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 16.5 m-85 -141.67 144.56 34.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.54 146.8 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -90.94 113.81 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.618 HD11 HG11 ' A' ' 82' ' ' VAL . 12.0 mt -79.56 -35.4 39.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -116.46 143.85 45.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -73.98 130.56 40.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 75.0 t80 -128.35 168.57 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.549 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 7.8 tt0 -136.1 119.98 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.56 108.36 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -63.18 -47.77 81.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.8 p -127.34 158.2 37.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -45.97 -29.26 1.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.73 -37.05 76.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -74.64 145.78 42.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.572 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -91.27 130.43 37.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.3 p -86.8 113.67 22.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.695 ' CD1' HG22 ' A' ' 76' ' ' ILE . 26.0 p90 -129.57 165.73 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 15.5 mmtp -132.3 161.7 32.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -61.62 112.29 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.73 15.32 20.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.514 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 18.1 tt0 -109.49 135.8 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 52.0 mtt180 -88.02 161.44 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.671 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 55.8 m-85 -158.92 136.01 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -83.98 113.06 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.07 111.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.807 HD11 ' HB2' ' A' ' 66' ' ' ARG . 22.5 mt -88.51 -51.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -131.61 125.6 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -119.99 39.47 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.4 t -85.64 -42.62 14.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' N ' HG23 ' A' ' 58' ' ' THR . 21.6 mt-10 -83.29 97.8 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.51 -35.01 21.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.52 -53.79 51.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 38.4 m95 -135.85 138.21 42.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.506 ' CD2' ' HB3' ' A' ' 78' ' ' SER . 53.7 m0 -109.58 135.53 50.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -82.48 118.06 22.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.87 158.55 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.807 ' HB2' HD11 ' A' ' 55' ' ' ILE . 19.1 ttm-85 -119.51 109.47 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.39 138.48 13.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 mt -93.22 -43.8 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.85 -62.19 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -80.35 -50.59 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.22 16.29 10.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -76.82 176.66 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 p -153.94 139.26 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.83 -140.51 4.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -130.12 128.11 41.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.838 HD12 HG11 ' A' ' 81' ' ' VAL . 37.4 pt -121.88 139.68 30.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.81 116.14 4.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.506 ' HB3' ' CD2' ' A' ' 63' ' ' TRP . 76.1 p -57.03 -27.07 61.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -65.13 -5.97 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.48 -33.34 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.838 HG11 HD12 ' A' ' 76' ' ' ILE . 28.6 m -102.35 141.28 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.618 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -133.59 152.9 79.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.717 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.485 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.5 Cg_endo -69.79 135.38 30.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -4.43 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -39.82 8.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -110.71 24.15 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.449 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -34.22 103.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -77.05 -17.79 58.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -122.45 26.23 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.635 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -34.97 -31.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 89' ' ' ALA . 22.9 mt-10 -37.41 -34.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.674 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 26.8 p-90 -60.94 -45.9 92.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.674 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.13 -31.36 34.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.9 mm -73.76 137.0 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.3 m-85 -138.57 142.45 39.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.4 144.06 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -89.89 115.42 27.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.46 HD11 HG11 ' A' ' 82' ' ' VAL . 17.3 mt -80.89 -34.71 33.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 2.0 m-85 -117.76 139.88 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 130.43 40.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.587 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 79.7 t80 -129.79 168.7 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 13.4 tm-20 -136.35 119.97 17.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB3' ' OG ' ' A' ' 45' ' ' SER . . . -51.81 106.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -59.95 -47.72 84.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p -127.6 154.6 45.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -44.44 -23.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.47 -40.18 70.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -74.52 159.07 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.586 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -102.05 131.18 48.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 38' ' ' ALA . 54.1 m -84.53 118.01 24.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.692 ' CD1' HG22 ' A' ' 76' ' ' ILE . 39.2 p90 -137.06 162.18 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 21.6 mmtp -130.77 168.84 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -64.89 117.12 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.47 23.63 12.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 17.6 tt0 -117.12 136.86 52.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 37.7 mtt-85 -93.38 163.34 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 34.7 m-85 -160.36 137.45 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -82.44 112.43 19.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.15 107.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 66' ' ' ARG . 13.5 mt -82.78 -52.26 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -130.65 129.65 42.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -122.98 43.54 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.8 t -84.84 -44.99 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 58' ' ' THR . 20.8 mt-10 -88.47 103.63 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.28 -37.79 55.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -51.89 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.54 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 40.6 m95 -139.36 136.19 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.7 m0 -110.09 144.91 37.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -91.2 116.18 28.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.92 161.62 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.717 ' HB2' HD11 ' A' ' 55' ' ' ILE . 47.5 ttp180 -123.27 103.34 8.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.406 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 7.7 m -40.38 141.61 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mt -93.39 -48.9 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 p -76.96 -58.09 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.37 12.26 9.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -71.1 175.93 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.5 p -156.42 140.56 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 176.03 -138.89 4.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -128.68 128.79 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.692 HG22 ' CD1' ' A' ' 46' ' ' PHE . 34.8 pt -122.91 141.43 35.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.54 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.77 121.25 7.94 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 83.3 p -66.74 -4.1 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -88.41 -5.9 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.8 m-85 -114.79 -34.95 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 32' ' ' ALA . 35.4 m -102.17 138.58 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.46 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -128.64 152.94 79.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.612 0.72 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.533 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.79 132.58 23.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.316 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.77 -7.34 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -94.44 -41.92 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -109.33 29.16 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.449 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -41.17 103.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -77.54 -16.57 58.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -122.9 25.29 8.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.628 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.2 pt-20 -35.2 -30.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 89' ' ' ALA . 3.1 mp0 -38.55 -35.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.695 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.9 p-90 -59.64 -45.07 93.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.695 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.6 -32.67 36.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.451 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.8 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.2 mm -76.5 141.03 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.524 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 14.4 m-85 -142.45 144.19 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.27 144.26 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -86.89 114.01 23.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.669 HD11 HG11 ' A' ' 82' ' ' VAL . 20.6 mt -77.56 -37.01 51.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.512 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.7 m-85 -118.63 144.31 46.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -72.29 135.21 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 59.4 t80 -136.18 158.26 44.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 2.1 tp10 -123.99 120.42 32.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -53.04 110.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -54.6 -28.65 47.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.9 168.52 19.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -44.81 -38.37 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.3 -40.92 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -81.46 156.4 25.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.485 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -100.16 126.7 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.478 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 18.6 p -84.72 115.41 22.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.6 ' CD1' HG22 ' A' ' 76' ' ' ILE . 33.6 p90 -131.01 166.54 20.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.829 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 25.0 mmtp -132.98 165.58 24.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -64.14 113.6 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.69 24.66 8.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 16.0 tt0 -118.89 136.87 53.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 74.5 mtt180 -93.42 163.36 13.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 30.8 m-85 -159.78 142.9 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -86.3 108.73 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.452 HD13 ' HB2' ' A' ' 65' ' ' ALA . 43.1 mm -64.6 108.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 66' ' ' ARG . 21.3 mt -83.81 -50.92 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -129.69 123.21 30.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -119.78 34.82 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.1 t -83.89 -45.23 13.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.477 ' N ' HG23 ' A' ' 58' ' ' THR . 13.8 mt-10 -81.66 97.43 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -48.29 -43.72 26.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -50.38 -60.88 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.489 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 64.2 m95 -128.88 138.11 51.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.439 ' CD2' ' HB3' ' A' ' 78' ' ' SER . 44.8 m0 -110.52 136.09 50.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.04 123.76 33.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -142.11 159.5 42.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.497 ' HB2' HD11 ' A' ' 55' ' ' ILE . 23.8 ttm180 -121.86 106.3 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.91 143.62 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.1 mt -96.68 -36.32 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.37 -57.45 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.6 p -78.98 -38.41 36.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.5 20.23 35.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CB ' HD21 ' A' ' 44' ' ' LEU . 15.9 mttp -82.8 171.33 14.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 p -156.85 131.23 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . -176.89 -132.83 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -132.58 120.91 22.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.877 HD12 HG11 ' A' ' 81' ' ' VAL . 47.3 pt -114.99 141.41 26.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.49 ' HD2' ' CE1' ' A' ' 46' ' ' PHE . 53.6 Cg_endo -69.75 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.439 ' HB3' ' CD2' ' A' ' 63' ' ' TRP . 94.2 p -60.87 -9.5 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -82.8 -4.18 57.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.512 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.9 m-85 -118.7 -30.27 5.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.877 HG11 HD12 ' A' ' 76' ' ' ILE . 35.1 m -102.34 145.77 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.669 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -139.27 152.9 70.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.639 0.733 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.524 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.85 133.56 25.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -5.52 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -95.9 -41.77 8.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -107.96 23.25 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.7 OUTLIER -33.7 103.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.73 -23.0 49.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.544 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -118.59 27.76 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.631 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.5 pt-20 -35.49 -29.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' ALA . 25.8 mt-10 -39.22 -32.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.658 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.0 p-90 -62.39 -44.41 96.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.658 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -82.38 -31.37 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.0 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.776 0.322 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mm -77.47 141.75 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 18.9 m-85 -142.61 143.73 32.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.44 148.68 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.73 111.45 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.627 HD11 HG11 ' A' ' 82' ' ' VAL . 12.9 mt -76.54 -35.9 57.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -115.04 150.81 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.85 131.26 35.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.7 t80 -129.13 168.64 15.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.516 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 25.8 tp10 -136.37 119.95 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.91 110.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -65.42 -47.56 75.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 p -129.44 163.5 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 t -52.65 -23.08 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -77.12 -27.41 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.69 150.66 24.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.619 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -97.32 128.5 44.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -85.55 137.11 33.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.662 ' CE1' HG22 ' A' ' 76' ' ' ILE . 19.5 p90 -153.78 168.72 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -132.99 170.91 14.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -68.84 105.38 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.22 32.07 2.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 21.1 tt0 -126.03 137.35 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.506 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 65.6 mtt180 -90.68 163.59 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 47.5 m-85 -160.13 133.81 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -81.61 114.11 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.7 mm -66.87 109.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 66' ' ' ARG . 13.6 mt -85.1 -48.43 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -137.06 128.62 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -121.6 41.96 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 59' ' ' GLU . 10.1 t -83.96 -44.58 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' N ' HG23 ' A' ' 58' ' ' THR . 22.4 mt-10 -82.83 98.62 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.32 -37.69 25.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.16 -54.35 47.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 35.8 m95 -133.88 140.15 46.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 78' ' ' SER . 53.7 m0 -110.95 143.01 42.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -91.48 118.26 30.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.15 159.88 40.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.717 ' HB2' HD11 ' A' ' 55' ' ' ILE . 17.6 ttt180 -117.68 109.26 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.9 p -50.56 132.96 25.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.1 mt -89.37 -30.02 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.162 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.42 -53.77 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.8 p -92.39 -54.52 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.1 5.88 11.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -70.81 176.74 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.5 p -156.06 139.85 16.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.476 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . -178.03 -135.05 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.441 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.411 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 18.4 m-85 -132.48 124.4 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.873 HD12 HG11 ' A' ' 81' ' ' VAL . 38.7 pt -121.18 138.08 27.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.72 115.19 3.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.327 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.559 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 17.4 t -52.38 -41.77 63.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -49.41 -17.8 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -102.96 -36.66 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.873 HG11 HD12 ' A' ' 76' ' ' ILE . 35.7 m -102.0 137.03 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.627 HG11 HD11 ' A' ' 33' ' ' LEU . 1.5 m -128.37 153.07 79.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.447 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.79 133.78 26.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.286 . . . . 0.0 112.315 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.69 -5.56 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -96.18 -41.65 8.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -108.5 25.06 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.454 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.93 103.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.179 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -78.62 -25.95 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.578 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -113.82 26.08 10.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.632 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.65 -28.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 89' ' ' ALA . 43.6 mt-10 -38.87 -31.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.697 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 35.2 p-90 -62.07 -47.37 84.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.697 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -77.48 -31.91 53.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.632 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.9 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.803 0.335 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.24 136.81 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.527 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.2 m-85 -138.24 142.86 39.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -118.57 146.85 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.83 114.11 26.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.631 HD11 ' CG1' ' A' ' 82' ' ' VAL . 8.7 mt -80.63 -34.37 35.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -116.55 147.96 41.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -77.39 124.46 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.582 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 87.9 t80 -126.76 163.92 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 35.7 tt0 -135.34 121.71 20.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB3' ' OG ' ' A' ' 45' ' ' SER . . . -52.57 106.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -60.33 -46.25 90.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.9 p -127.71 154.94 44.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.9 m -44.23 -26.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.75 -39.1 76.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -76.47 153.99 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.65 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -98.29 131.73 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.483 ' OG ' ' HB3' ' A' ' 38' ' ' ALA . 44.3 m -85.21 116.05 23.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.782 ' CD1' HG22 ' A' ' 76' ' ' ILE . 34.6 p90 -134.08 158.17 44.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -124.86 160.93 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -59.71 113.93 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.2 22.76 9.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 16.9 tt0 -116.52 135.96 53.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -90.25 159.41 16.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.672 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 55.4 m-85 -156.27 135.04 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -81.64 112.23 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.6 mm -65.91 108.85 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.733 HD11 ' HB2' ' A' ' 66' ' ' ARG . 26.3 mt -83.99 -56.28 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -126.33 127.13 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -119.2 41.12 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 59' ' ' GLU . 9.7 t -83.99 -43.28 15.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' N ' HG23 ' A' ' 58' ' ' THR . 18.7 mt-10 -89.52 101.88 14.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.03 50.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.2 -49.75 76.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.532 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 44.6 m95 -139.9 132.99 29.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.532 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.6 m0 -107.4 142.41 37.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -90.95 115.67 28.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.06 165.12 23.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.733 ' HB2' HD11 ' A' ' 55' ' ' ILE . 15.7 ttt85 -124.13 106.92 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -42.96 139.77 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.6 mt -94.68 -24.39 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.1 -59.91 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -81.75 -36.54 28.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.81 12.51 55.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -72.63 173.59 8.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.7 p -154.63 139.9 17.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.469 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 178.9 -134.83 2.42 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.449 ' H ' ' N ' ' A' ' 44' ' ' LEU . 20.7 m-85 -132.41 123.28 26.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.915 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.782 HG22 ' CD1' ' A' ' 46' ' ' PHE . 25.7 pt -116.48 140.14 26.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.532 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.0 Cg_endo -69.81 122.16 8.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.532 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 54.1 p -68.04 -2.77 8.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -91.07 -2.21 57.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.88 -34.79 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.574 HG21 HD12 ' A' ' 76' ' ' ILE . 34.2 m -102.07 140.84 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.179 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.631 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -130.35 153.07 81.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.527 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.82 134.1 27.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.47 -5.81 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -96.22 -41.74 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.08 23.97 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.2 103.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.78 -22.68 49.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -118.5 27.33 9.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.24 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 15.5 mt-10 -37.6 -32.24 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.668 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.0 p-90 -62.82 -46.16 89.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.668 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.61 -30.88 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.488 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.745 0.307 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.405 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 12.8 mm -76.9 145.35 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.537 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.6 m-85 -144.49 141.8 29.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -118.59 147.17 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.05 115.08 27.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.593 HD22 ' CD1' ' A' ' 92' ' ' TRP . 6.3 mt -81.48 -31.72 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -118.12 145.7 44.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.16 128.11 33.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 83.2 t80 -126.46 168.21 14.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 8.5 tt0 -135.02 118.92 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 110.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -64.27 -46.61 82.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 p -128.71 155.03 45.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -43.76 -29.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -67.99 -38.75 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -74.6 148.68 40.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.626 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -93.03 130.25 38.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 p -87.41 113.17 22.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.699 ' CD1' HG22 ' A' ' 76' ' ' ILE . 17.8 p90 -126.43 163.98 22.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -125.91 165.19 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -66.12 108.09 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.95 21.99 8.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 tp10 -112.45 142.3 45.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 22.3 mtt85 -94.98 160.01 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 39.8 m-85 -157.71 135.4 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -81.91 111.76 18.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.468 HG13 ' CD1' ' A' ' 30' ' ' PHE . 43.9 mm -66.61 106.04 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 66' ' ' ARG . 16.4 mt -82.48 -50.64 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -135.15 125.27 26.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.552 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 42.3 p30 -125.27 41.68 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.0 t -68.96 -45.2 71.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.474 ' N ' HG23 ' A' ' 58' ' ' THR . 9.7 pt-20 -107.57 122.23 46.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.9 -41.71 96.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -38.87 -52.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.336 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.544 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 58.1 m95 -147.18 133.38 19.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.586 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.9 m0 -111.34 141.0 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -87.68 115.54 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -132.28 159.37 39.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.649 ' HB2' HD11 ' A' ' 55' ' ' ILE . 12.9 ttt180 -120.1 105.95 11.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 m -43.74 139.63 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mt -94.75 -23.51 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.26 -63.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -80.34 -35.15 35.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.22 15.78 46.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -75.41 173.61 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.4 p -155.53 138.45 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.465 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.6 -133.12 1.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.503 ' H ' ' N ' ' A' ' 44' ' ' LEU . 21.6 m-85 -132.53 127.15 34.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.911 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.699 HG22 ' CD1' ' A' ' 46' ' ' PHE . 26.6 pt -121.81 140.21 31.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.544 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.3 Cg_endo -69.75 122.14 8.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.306 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.586 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 59.7 p -66.89 -4.45 9.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -88.67 -3.06 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.74 -34.06 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.595 HG21 HD12 ' A' ' 76' ' ' ILE . 35.8 m -102.3 146.59 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.36 153.17 72.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.0 Cg_endo -69.79 133.86 26.53 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -5.18 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.82 -41.74 8.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.2 23.56 14.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.454 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -33.62 103.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -78.04 -28.44 49.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -110.58 25.68 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.648 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.81 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 89' ' ' ALA . 49.6 mt-10 -39.15 -30.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.67 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 33.6 p-90 -62.33 -45.19 94.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.67 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.23 -32.19 38.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 11.2 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.736 0.303 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.416 ' HA ' HD13 ' A' ' 29' ' ' ILE . 9.8 mm -76.24 135.99 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.4 m-85 -138.57 143.95 39.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -118.73 147.45 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -90.74 111.45 22.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.758 HD11 ' CG1' ' A' ' 82' ' ' VAL . 9.8 mt -76.6 -33.75 58.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -118.32 154.76 31.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -85.82 123.35 31.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.575 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 81.9 t80 -122.52 168.17 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 12.5 tt0 -135.14 121.71 20.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.475 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.59 112.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -67.28 -46.97 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' ASP . 31.0 p -130.64 158.02 41.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.6 m -44.12 -32.51 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.188 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.15 -36.79 77.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' THR . 3.9 m-20 -74.22 147.44 42.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.758 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -99.05 125.67 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.475 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 36.5 t -84.69 143.48 29.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.71 ' CE1' HG22 ' A' ' 76' ' ' ILE . 6.2 p90 -154.72 166.7 32.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -126.85 160.08 32.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -60.7 113.08 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.97 28.77 6.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 tp10 -118.54 146.29 44.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.59 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 18.6 mtt85 -100.53 162.2 13.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 19.0 m-85 -160.7 134.99 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 68' ' ' ILE . 43.8 mt-30 -81.49 114.51 20.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.462 HD13 ' HB2' ' A' ' 65' ' ' ALA . 42.9 mm -67.85 106.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.0 mt -81.71 -49.61 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -129.49 133.25 47.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -127.7 36.5 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -84.34 -35.21 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -94.53 96.66 9.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -48.76 -40.5 25.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.507 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -54.65 -54.36 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.52 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 46.6 m95 -135.96 134.3 38.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 48.1 m0 -105.83 143.64 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -91.77 113.19 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.462 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -130.44 160.27 34.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.693 ' HB2' HD11 ' A' ' 55' ' ' ILE . 33.6 ttp180 -119.32 107.02 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.446 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 2.1 m -46.08 134.42 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.464 HD11 ' HG3' ' A' ' 53' ' ' GLN . 10.9 mt -90.98 -37.97 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.61 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.5 p -89.6 -56.74 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.62 21.05 2.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -76.18 175.08 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.0 p -156.23 142.8 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 174.97 -138.01 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.457 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 17.9 m-85 -131.33 113.97 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.758 HG23 ' HB3' ' A' ' 44' ' ' LEU . 22.5 pt -106.31 141.09 22.03 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.732 . . . . 0.0 111.156 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.52 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 120.52 7.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.593 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 66.8 p -66.55 -5.66 12.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -87.93 -2.08 58.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.73 -33.6 4.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 32' ' ' ALA . 27.9 m -102.22 141.65 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.758 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -130.33 153.0 81.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.549 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.84 133.42 25.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.316 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.57 -6.53 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -95.63 -41.75 8.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.52 25.57 11.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.438 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.24 103.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -77.06 -21.93 53.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.517 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -119.48 27.49 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.636 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.5 pt-20 -34.82 -31.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ALA . 44.3 mt-10 -37.15 -33.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.69 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.3 p-90 -62.63 -48.01 81.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.69 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -78.4 -31.11 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.757 0.313 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.424 ' HA ' HD13 ' A' ' 29' ' ' ILE . 9.1 mm -70.93 132.96 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.2 m-85 -135.56 143.48 45.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.0 t -117.74 147.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.87 110.15 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.058 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.652 HD11 ' CG1' ' A' ' 82' ' ' VAL . 10.0 mt -78.0 -33.8 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.49 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.3 m-85 -116.9 149.7 39.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.67 125.42 30.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.9 t80 -123.2 169.04 11.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.508 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 28.6 tt0 -137.7 118.38 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.62 106.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -64.83 -45.09 87.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 p -132.25 151.34 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -41.74 -27.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -66.07 -43.22 88.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -77.61 153.35 33.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.649 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -94.93 132.62 39.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.483 ' H ' HD23 ' A' ' 44' ' ' LEU . 3.3 p -86.87 115.65 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.718 ' CD1' HG22 ' A' ' 76' ' ' ILE . 22.4 p90 -131.01 173.09 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -138.94 163.36 32.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -61.63 116.72 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.19 28.1 8.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.491 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 19.0 tt0 -123.05 133.07 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 46.0 mtt180 -86.57 164.49 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.645 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 64.1 m-85 -160.22 135.44 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.55 114.02 20.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.09 110.48 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.75 HD11 ' HB2' ' A' ' 66' ' ' ARG . 21.2 mt -84.71 -52.73 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -131.7 129.5 40.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -120.57 42.72 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.3 t -87.82 -33.87 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -98.7 98.55 9.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.15 -44.13 42.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -51.44 -51.28 56.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.482 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 46.0 m95 -139.97 131.33 26.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.502 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.4 m0 -104.72 142.64 34.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -89.15 113.7 24.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.53 166.25 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.75 ' HB2' HD11 ' A' ' 55' ' ' ILE . 7.0 ttt180 -127.01 103.33 7.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.48 143.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.0 mt -93.43 -62.1 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.7 -64.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.1 p -76.78 -57.83 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.55 15.21 7.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -70.79 175.53 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.1 p -154.73 143.32 20.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.477 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.89 -140.93 5.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.485 ' H ' ' N ' ' A' ' 44' ' ' LEU . 23.4 m-85 -128.52 121.0 27.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.945 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.718 HG22 ' CD1' ' A' ' 46' ' ' PHE . 30.4 pt -112.24 140.35 23.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.538 ' HD2' ' CZ ' ' A' ' 46' ' ' PHE . 53.5 Cg_endo -69.75 116.85 4.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 80.4 p -63.81 -7.1 6.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -86.72 -1.42 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.49 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.2 m-85 -120.02 -34.2 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.499 HG21 HD12 ' A' ' 76' ' ' ILE . 33.1 m -102.09 138.81 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.652 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -127.55 152.88 77.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.542 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.76 131.77 21.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.98 -7.76 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.03 -41.81 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -109.68 28.8 8.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.46 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -40.36 103.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.48 -27.17 46.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -111.97 25.96 11.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.638 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.83 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 89' ' ' ALA . 13.7 mt-10 -38.96 -31.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.698 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 34.5 p-90 -62.05 -47.23 85.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.698 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -77.82 -31.97 51.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.638 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.9 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 61.48 49.95 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -97.17 125.82 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.62 -131.6 1.96 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -133.02 121.39 22.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.0 p -70.65 155.59 40.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.32 70.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.64 93.84 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.5 t -60.69 87.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 p -170.52 144.81 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.7 p -136.42 115.56 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.05 130.34 56.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -83.93 111.2 19.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.52 138.11 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.144 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.49 132.99 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -70.57 108.91 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -90.94 102.12 14.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -57.09 150.56 16.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -74.2 151.5 88.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.669 0.747 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 138.5 38.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 p -93.65 178.2 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.94 55.3 18.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.4 mt -84.07 131.44 34.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -144.73 109.99 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.4 -166.94 39.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.67 53.07 0.84 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.486 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -116.03 147.59 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.887 0.375 . . . . 0.0 111.092 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m -123.23 139.32 54.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.422 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.6 mm -77.93 136.89 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.518 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.9 m-85 -139.43 142.89 37.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.03 144.46 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -92.21 116.54 29.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.588 HD22 ' CD1' ' A' ' 92' ' ' TRP . 5.0 mt -83.96 -31.61 25.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.545 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 2.8 m-85 -115.68 141.51 47.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.72 120.33 20.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.586 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 87.9 t80 -117.78 168.86 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 7.8 tt0 -135.1 120.31 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.06 111.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -66.54 -47.08 74.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.1 p -131.43 158.98 39.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.424 ' H ' HG23 ' A' ' 41' ' ' THR . 1.5 p -44.24 -36.06 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -62.64 -37.96 88.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.28 154.88 38.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.592 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -101.57 129.32 47.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.45 ' O ' ' NZ ' ' A' ' 72' ' ' LYS . 89.1 p -84.18 114.38 21.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.696 ' CD1' HG22 ' A' ' 76' ' ' ILE . 41.4 p90 -132.61 161.93 32.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 37.4 mmtm -129.13 166.19 19.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.65 109.22 1.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.85 23.82 6.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 32.9 tt0 -117.07 137.85 52.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 mtt85 -93.01 158.17 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.593 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 37.6 m-85 -156.19 138.2 14.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.04 111.39 18.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.414 HG13 ' CD1' ' A' ' 30' ' ' PHE . 44.1 mm -67.3 106.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.688 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.8 mt -83.38 -48.72 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -132.93 126.54 32.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.548 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 4.4 p30 -127.79 45.02 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 59' ' ' GLU . 9.1 t -74.59 -51.04 15.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.573 ' N ' HG23 ' A' ' 58' ' ' THR . 6.4 pt-20 -101.74 119.11 38.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' HA2' ' NE1' ' A' ' 63' ' ' TRP . . . -55.29 -39.48 72.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.94 -58.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 41.9 m95 -143.3 131.34 21.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 40.3 m0 -108.88 142.74 39.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -87.74 118.69 27.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -133.69 162.56 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.688 ' HB2' HD11 ' A' ' 55' ' ' ILE . 10.9 ttt85 -124.85 103.36 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 m -41.26 140.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mt -93.41 -29.24 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.02 -68.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.3 p -75.52 -34.55 60.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.29 17.62 42.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 45' ' ' SER . 9.3 mtmp? -75.29 173.93 10.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.6 p -156.12 138.96 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.9 -134.75 2.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.441 ' H ' ' N ' ' A' ' 44' ' ' LEU . 27.0 m-85 -132.18 129.68 40.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.696 HG22 ' CD1' ' A' ' 46' ' ' PHE . 41.4 pt -125.47 140.99 37.67 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.82 124.03 10.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.573 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 91.7 p -68.95 -3.11 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -90.18 -3.02 58.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.545 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.3 m-85 -117.99 -34.18 4.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.8 143.84 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.45 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -133.91 152.89 79.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.613 0.72 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.518 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.8 134.73 28.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.326 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -5.62 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -96.84 -41.62 8.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.37 25.72 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.451 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -35.51 103.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -77.45 -18.51 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -121.04 25.77 9.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.1 pt-20 -35.43 -30.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 46.4 mt-10 -38.34 -32.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.671 ' CZ3' ' CB ' ' A' ' 93' ' ' TYR . 27.7 p-90 -62.74 -45.1 94.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.671 ' CB ' ' CZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.66 -31.29 32.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.523 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.7 m-85 -61.28 -48.1 82.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.81 -45.97 2.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -103.42 82.52 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.748 0.309 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.9 ptm -64.51 -6.91 8.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 51.6 -96.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -146.88 127.69 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -171.19 168.99 6.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.75 158.6 17.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.49 139.5 35.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -81.64 82.94 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.6 p -89.08 124.32 34.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 152.91 83.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -21.99 33.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.399 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.3 m -52.69 -56.3 16.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m -47.51 109.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -100.37 -47.97 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.919 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m 41.41 42.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.91 130.43 9.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -101.98 -56.34 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -97.85 152.77 18.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.55 -168.2 39.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.04 140.46 46.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -89.68 42.83 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.1 p -163.86 118.05 1.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 13.8 m -149.28 140.22 22.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 11' ' ' SER . 37.6 m-85 -144.44 135.02 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.3 p -157.71 -178.84 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.24 138.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 16' ' ' SER . 7.7 p -68.23 -47.2 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.501 ' N ' HG13 ' A' ' 15' ' ' VAL . 2.4 m -101.29 175.92 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -118.73 44.43 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -116.8 172.11 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.417 ' CD2' HD11 ' A' ' 23' ' ' LEU . 9.0 p90 -130.76 153.39 81.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.679 0.752 . . . . 0.0 110.955 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 21' ' ' THR . 53.4 Cg_endo -69.82 94.66 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' PRO . 9.9 t -37.16 150.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.71 105.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 19' ' ' TYR . 5.7 mp -126.55 174.31 8.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.0 p -129.76 -48.54 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.28 152.05 9.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.55 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.53 -73.73 0.28 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -118.35 140.8 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -122.15 131.35 53.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.9 mm -73.77 138.07 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.0 m-85 -139.02 143.27 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.31 145.77 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.432 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -91.86 120.27 32.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.586 HD22 ' CD1' ' A' ' 92' ' ' TRP . 8.5 mt -87.37 -33.14 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -116.29 149.32 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -79.0 122.96 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.586 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 90.1 t80 -125.47 165.22 18.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 11.4 tp10 -137.45 120.9 17.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HB2' ' C ' ' A' ' 44' ' ' LEU . . . -51.77 106.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -59.15 -45.81 89.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.3 p -128.77 155.98 44.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 t -43.87 -28.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -67.79 -39.39 84.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -74.44 161.2 30.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.637 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -106.3 132.02 52.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.448 ' H ' HD23 ' A' ' 44' ' ' LEU . 62.8 m -84.24 118.6 24.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.768 ' CD1' HG22 ' A' ' 76' ' ' ILE . 41.2 p90 -138.82 154.69 48.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 63.8 mmtt -120.81 168.7 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -67.02 110.91 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.34 24.1 7.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 19.1 tt0 -116.31 136.99 52.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -92.45 154.74 18.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 42.9 m-85 -152.09 136.37 16.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -81.86 113.87 20.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.412 HG13 ' CD1' ' A' ' 30' ' ' PHE . 45.9 mm -68.3 109.46 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.658 HD11 ' HB2' ' A' ' 66' ' ' ARG . 21.8 mt -85.97 -54.87 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -125.14 125.89 44.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -120.32 46.26 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 t -91.15 -42.9 10.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -87.74 98.98 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.4 -32.01 29.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.52 -51.75 61.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.504 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 49.2 m95 -138.15 129.5 27.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.8 m0 -104.79 145.96 29.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -92.72 117.43 29.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.4 162.78 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.658 ' HB2' HD11 ' A' ' 55' ' ' ILE . 33.5 ttp180 -122.11 105.89 10.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.46 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 3.7 m -44.46 136.23 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.8 mt -88.68 -42.55 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.59 -64.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -75.87 -56.81 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.13 15.9 7.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -78.27 176.67 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 p -154.48 141.2 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.479 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.32 -136.88 2.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -132.53 120.41 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.768 HG22 ' CD1' ' A' ' 46' ' ' PHE . 28.4 pt -112.7 141.17 24.89 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.72 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 46' ' ' PHE . 53.7 Cg_endo -69.81 123.96 10.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.372 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 40.8 p -69.85 -1.78 10.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -92.17 -2.09 56.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -118.71 -33.71 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.517 HG21 HD12 ' A' ' 76' ' ' ILE . 30.6 m -102.85 148.05 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.1 153.0 74.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.8 133.06 24.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.357 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.37 -6.77 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -95.07 -41.71 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -109.25 26.11 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.443 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -36.6 103.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -77.89 -22.11 50.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -118.82 27.02 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.642 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.29 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 89' ' ' ALA . 28.0 mt-10 -37.57 -32.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.675 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.4 p-90 -62.94 -46.03 89.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.675 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.59 -31.31 36.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.49 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.0 m-85 -61.14 -50.92 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.95 -46.2 4.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.478 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -92.16 49.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 37.9 ttm -69.65 157.28 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.74 -141.71 7.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 101' ' ' ASP . 21.2 mtp85 -74.67 -31.69 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 99' ' ' ARG . 0.6 OUTLIER 31.27 38.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 99' ' ' ARG . 22.8 t70 -64.98 88.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.26 83.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 104' ' ' SER . 7.4 pt-20 -61.51 106.25 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 103' ' ' GLU . 3.8 m 35.78 49.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -82.99 145.81 23.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 151.04 68.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.9 m -153.07 144.95 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.2 t -91.51 -55.42 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 p -149.06 172.25 15.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.2 p -137.67 175.87 9.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.29 164.78 33.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -154.98 123.31 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -170.1 133.5 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.63 160.17 10.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.24 149.82 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 111.077 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -148.51 134.79 19.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.437 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 39.4 m -81.65 41.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 10' ' ' SER . 96.9 p 34.73 40.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CD2' ' O ' ' A' ' 10' ' ' SER . 13.2 m-85 -131.28 84.72 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 t -166.79 136.54 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 15' ' ' VAL . 18.9 m -117.68 138.51 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 14' ' ' VAL . 7.0 m -159.47 133.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.2 p -42.85 141.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 m -86.14 -38.92 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -116.03 120.46 39.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -71.42 150.54 93.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.668 0.746 . . . . 0.0 110.939 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.616 ' O ' HD11 ' A' ' 23' ' ' LEU . 53.9 Cg_endo -69.72 166.79 26.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.27 . . . . 0.0 112.379 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.7 p -99.56 153.12 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.39 86.38 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.616 HD11 ' O ' ' A' ' 20' ' ' PRO . 5.2 mp -118.33 103.38 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.4 m -144.74 139.42 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.54 -162.06 32.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.448 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.25 -37.27 11.27 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.6 t -93.39 140.94 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m -104.48 130.71 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' HA ' HD13 ' A' ' 29' ' ' ILE . 13.3 mm -73.09 138.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.537 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.6 m-85 -139.39 143.37 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.67 146.56 24.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.55 113.94 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.597 HD11 ' CG1' ' A' ' 82' ' ' VAL . 6.1 mt -80.22 -35.16 36.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -113.85 149.34 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -80.17 118.3 21.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 91.2 t80 -115.11 165.06 13.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 4.8 tt0 -135.29 118.65 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.87 121.45 6.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -75.98 -42.95 46.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 p -129.85 -174.81 3.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 m -64.13 -45.56 87.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -60.89 -25.95 67.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -78.4 139.3 38.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.551 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -93.52 130.44 39.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.0 p -85.82 116.19 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.71 ' CD1' HG22 ' A' ' 76' ' ' ILE . 36.2 p90 -135.56 159.35 41.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -128.52 166.52 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 33' ' ' LEU . 48.7 tttm -63.23 115.2 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.73 24.16 8.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.51 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.476 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 12.6 tt0 -119.0 137.22 53.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 18.2 mtt85 -92.85 162.01 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.618 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 48.2 m-85 -158.47 135.2 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -81.62 113.3 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.412 HD13 ' HB2' ' A' ' 65' ' ' ALA . 46.7 mm -66.63 105.02 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.712 HD11 ' HB2' ' A' ' 66' ' ' ARG . 15.8 mt -81.36 -48.7 18.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -134.67 131.14 37.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -123.66 42.92 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 59' ' ' GLU . 9.7 t -84.26 -43.32 14.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 58' ' ' THR . 5.4 mm-40 -87.68 102.22 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.4 -43.38 51.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -53.87 -54.19 42.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.513 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 31.3 m95 -134.81 137.58 43.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.423 ' CH2' ' OG ' ' A' ' 78' ' ' SER . 45.6 m0 -110.25 151.61 27.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.41 118.07 33.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.412 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -135.15 164.83 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.712 ' HB2' HD11 ' A' ' 55' ' ' ILE . 7.7 ttt180 -124.78 105.9 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.61 138.41 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.8 mt -93.29 -30.53 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.22 -63.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.3 p -80.12 -45.26 18.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.24 31.56 4.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -94.9 176.34 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.3 p -154.26 142.28 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.33 -135.76 2.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -132.8 119.95 20.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.71 HG22 ' CD1' ' A' ' 46' ' ' PHE . 34.0 pt -114.47 141.26 26.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.513 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.78 122.84 9.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.423 ' OG ' ' CH2' ' A' ' 63' ' ' TRP . 29.0 t -68.56 -2.23 8.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -91.48 -2.32 57.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.92 -33.96 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.434 HG21 HD12 ' A' ' 76' ' ' ILE . 33.5 m -102.33 140.43 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.597 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -129.45 152.57 79.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.0 Cg_endo -69.73 134.34 27.8 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.99 -6.35 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.09 -42.06 8.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.17 26.2 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.438 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 1.0 OUTLIER -35.9 103.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.18 -19.84 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.55 26.37 9.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.638 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.6 pt-20 -34.98 -31.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 89' ' ' ALA . 44.6 mt-10 -37.07 -32.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.673 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.3 p-90 -63.13 -46.22 88.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.673 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.72 -31.17 36.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.65 -46.75 88.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.45 -49.83 1.95 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -94.72 107.47 19.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.8 mtm -109.39 -56.42 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.64 -87.96 0.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -139.27 162.63 34.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -100.16 125.26 46.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -126.99 174.98 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.14 105.72 15.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -174.28 108.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 75.5 p -150.87 138.13 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -110.63 83.09 0.31 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 104.4 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.362 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.0 t -155.83 152.39 28.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -93.29 151.61 19.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.1 p -125.46 83.65 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.892 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -142.0 108.13 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.29 71.1 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -60.58 143.77 53.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -99.27 -51.15 3.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.05 -163.31 12.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.8 104.45 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -107.37 41.82 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.809 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.9 p -143.14 177.99 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.7 t -105.13 155.11 19.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.499 ' CD2' ' HB2' ' A' ' 13' ' ' SER . 48.0 p90 -43.54 -47.02 7.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.499 ' HB2' ' CD2' ' A' ' 12' ' ' PHE . 4.6 t -118.39 -59.53 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.9 m -145.13 143.42 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.39 136.5 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.6 p -84.58 99.33 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 m -127.68 91.2 3.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.0 m -115.74 83.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -134.3 151.78 76.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.717 0.77 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.497 ' HG2' HD11 ' A' ' 23' ' ' LEU . 53.8 Cg_endo -69.76 -176.73 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 p -106.68 125.5 51.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.64 86.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.497 HD11 ' HG2' ' A' ' 20' ' ' PRO . 6.0 mp -105.41 165.67 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p -77.08 177.18 8.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.46 -140.7 14.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.67 73.01 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.1 t -111.11 136.02 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 111.108 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 m -125.97 136.29 52.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 29' ' ' ILE . 13.2 mm -77.86 138.75 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.3 m-85 -140.98 142.53 34.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.06 146.19 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -92.1 110.6 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 92' ' ' TRP . 14.0 mt -74.22 -33.11 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -118.99 148.15 43.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.38 117.27 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 64.7 t80 -114.33 162.4 16.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 14.9 tt0 -130.99 121.5 25.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.449 ' CB ' ' HB3' ' A' ' 45' ' ' SER . . . -51.41 122.77 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -78.11 -37.37 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.2 p -133.35 -174.74 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -71.87 -32.22 67.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.95 -20.82 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.27 140.87 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.619 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -90.49 126.86 36.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 55.3 p -89.13 112.68 23.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.637 ' CD1' HG22 ' A' ' 76' ' ' ILE . 7.1 p90 -122.39 168.77 11.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -128.79 164.46 22.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -64.66 114.94 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.01 21.82 17.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.7 tp10 -111.93 140.69 46.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 33.9 mtt180 -95.5 163.3 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 30.8 m-85 -160.55 136.61 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.58 111.69 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' A' ' 65' ' ' ALA . 52.2 mm -66.03 104.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 66' ' ' ARG . 17.7 mt -80.18 -45.75 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -142.77 129.46 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.408 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 26.4 p30 -122.57 42.76 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 59' ' ' GLU . 5.6 t -79.31 -42.6 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 58' ' ' THR . 28.1 mt-10 -87.69 101.84 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.01 -36.92 28.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -60.11 -51.24 70.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.826 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.527 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 26.6 m95 -139.49 137.98 35.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.457 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 44.0 m0 -111.5 148.34 33.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.5 116.05 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.532 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -135.59 159.45 41.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.553 ' HB2' HD11 ' A' ' 55' ' ' ILE . 43.1 ttp180 -122.3 106.74 11.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -46.24 139.36 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.1 mt -94.1 -21.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.36 -61.73 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 p -83.13 -28.6 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.47 10.8 67.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -70.86 172.06 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.416 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 36.0 p -153.23 144.43 23.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.484 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 170.76 -140.03 5.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 27.2 m-85 -125.99 127.45 45.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.948 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.637 HG22 ' CD1' ' A' ' 46' ' ' PHE . 35.4 pt -120.78 139.56 29.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.527 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.75 125.2 11.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.457 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 84.5 p -69.22 -10.65 58.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -83.06 -1.63 53.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -120.22 -36.01 3.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 HD12 ' A' ' 76' ' ' ILE . 26.8 m -102.21 140.54 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -130.83 153.06 81.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.605 0.717 . . . . 0.0 111.195 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.498 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.74 134.67 28.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.5 -5.0 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -96.91 -41.74 8.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.22 23.16 14.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.13 103.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.078 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -78.1 -20.63 51.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.29 26.86 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.638 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.2 pt-20 -35.28 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 42.2 mt-10 -37.54 -33.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.683 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.8 p-90 -61.44 -46.26 90.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.683 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.05 -31.91 39.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.55 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 10.1 m-85 -60.21 -46.19 90.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.88 -50.82 1.33 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.511 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -95.07 91.84 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.308 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 49.7 mtp -93.72 170.35 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.16 114.4 0.92 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.446 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -80.57 94.07 6.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.19 126.76 27.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.56 107.93 14.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -40.97 103.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -87.18 84.86 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.6 p -115.71 122.98 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.42 -158.45 19.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 99.22 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.6 m -63.25 144.22 57.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.9 p -95.88 55.79 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -173.9 163.58 4.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.8 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -173.75 170.16 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.24 159.89 30.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -169.23 172.05 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -117.51 167.55 11.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.97 134.07 11.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.95 141.79 47.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 p -158.03 128.86 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 m -106.39 174.08 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.5 p -106.24 -51.73 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 62.93 33.74 14.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.6 p -61.36 83.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.0 t -130.23 110.14 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -146.08 151.53 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -79.66 155.9 27.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 t -67.57 -62.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -173.91 175.96 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -155.83 151.57 22.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.697 0.76 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 154.75 67.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.3 p -99.0 39.07 1.3 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.64 37.55 2.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' N ' HD22 ' A' ' 23' ' ' LEU . 3.6 mm? -87.38 40.24 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.1 m -125.96 112.64 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.51 104.93 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.94 -79.67 0.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t -121.32 143.56 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.123 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 m -104.79 133.36 49.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 29' ' ' ILE . 10.0 mm -74.4 137.4 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.9 m-85 -139.02 143.05 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -117.93 145.27 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.86 116.5 27.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.046 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 92' ' ' TRP . 9.9 mt -82.89 -34.25 26.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.532 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.4 m-85 -117.49 150.67 38.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -81.37 121.17 25.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 90.8 t80 -121.63 150.43 41.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -118.81 121.03 39.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.81 106.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -60.99 -46.77 89.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 43' ' ' ASP . 21.2 p -131.37 153.05 50.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -42.22 -26.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -69.67 -41.46 75.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' THR . 2.7 m-20 -73.52 155.07 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.564 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -96.6 131.25 43.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.517 ' N ' HD23 ' A' ' 44' ' ' LEU . 45.7 p -87.48 114.48 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.672 ' CD1' HG22 ' A' ' 76' ' ' ILE . 25.9 p90 -134.51 159.77 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -127.41 161.08 29.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -58.24 119.27 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.85 21.37 18.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.95 134.87 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.83 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 71.3 mtt180 -92.38 164.78 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 42.5 m-85 -160.15 144.74 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -88.4 111.5 21.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 mm -66.12 105.04 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 66' ' ' ARG . 11.9 mt -81.77 -45.67 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -140.83 128.89 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.569 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 24.8 p30 -126.56 42.86 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.529 HG23 ' N ' ' A' ' 59' ' ' GLU . 6.9 t -68.61 -49.76 56.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.529 ' N ' HG23 ' A' ' 58' ' ' THR . 11.6 pt-20 -105.65 122.0 45.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' ASP . . . -56.78 -45.2 91.44 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' GLY . 10.8 m-20 -35.29 -52.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 34.5 m95 -148.45 133.47 18.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.4 m0 -110.29 141.46 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -85.89 114.18 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.34 165.26 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.663 ' HB2' HD11 ' A' ' 55' ' ' ILE . 25.5 ttm-85 -128.91 106.69 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -39.15 142.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mt -96.68 -29.56 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.88 -60.82 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.7 p -78.23 -48.34 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.18 11.46 23.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -71.12 175.94 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.439 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 35.2 p -155.63 144.18 20.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.489 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.6 -143.76 7.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.438 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 30.2 m-85 -128.12 117.72 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.947 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.672 HG22 ' CD1' ' A' ' 46' ' ' PHE . 43.4 pt -111.89 139.96 22.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.82 123.02 9.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 53.1 p -66.66 -4.7 9.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -85.22 -15.88 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.532 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.4 m-85 -105.89 -32.65 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.523 HG11 HD12 ' A' ' 76' ' ' ILE . 34.8 m -102.25 150.87 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -140.69 152.99 67.44 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.632 0.73 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.79 133.38 25.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.53 -6.5 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -95.76 -41.8 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.4 25.64 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.436 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.36 103.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -77.6 -20.95 53.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -119.89 26.86 9.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.635 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -34.97 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ALA . 27.1 mt-10 -37.39 -31.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.669 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 28.4 p-90 -64.0 -45.79 87.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.669 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.97 -30.97 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -62.09 -50.79 70.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.79 -45.41 4.24 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -97.94 114.53 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 98' ' ' GLY . 28.7 mtm -39.42 -65.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 97' ' ' MET . . . 36.35 39.9 0.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -77.33 -175.79 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -134.49 103.97 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.53 107.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -174.28 172.51 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -76.54 145.37 39.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.0 p -88.5 -47.76 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.49 80.52 1.37 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 125.04 11.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 m -132.24 135.7 46.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -109.3 142.84 39.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.439 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -127.09 129.67 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.813 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 m -146.87 164.63 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.71 -154.91 9.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -93.95 167.03 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -96.59 -57.44 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.94 59.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.433 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.09 104.83 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.1 p -167.98 135.65 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 m -148.99 168.4 23.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.805 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 t -127.28 -54.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -115.16 91.64 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.7 m -106.71 157.53 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 15' ' ' VAL . 28.3 m -107.39 -41.12 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.44 ' N ' HG23 ' A' ' 14' ' ' VAL . 24.3 m 36.4 38.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 t -137.43 146.32 44.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -116.9 116.99 28.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.0 p -96.15 98.38 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -157.87 145.3 13.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' THR . 53.5 Cg_endo -69.77 86.84 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' PRO . 5.2 t -34.05 146.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.85 34.79 1.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.51 110.2 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.908 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.6 m -154.2 132.66 12.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.49 96.15 0.63 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.15 -45.37 3.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.1 t -95.83 142.82 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 111.081 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m -118.67 140.38 50.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.415 ' HA ' HD13 ' A' ' 29' ' ' ILE . 12.2 mm -77.78 137.06 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.3 m-85 -139.9 144.34 37.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -118.96 147.59 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.21 114.07 26.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.594 HD22 ' CD1' ' A' ' 92' ' ' TRP . 9.6 mt -76.22 -37.1 58.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.9 154.89 27.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.02 114.56 23.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 78.6 t80 -114.33 166.81 11.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.501 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 28.2 tt0 -133.71 123.24 24.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.96 114.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -61.96 -44.0 97.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 p -137.26 -178.44 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.3 t -62.71 -19.8 64.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' ' CD2' ' A' ' 75' ' ' TYR . 4.6 pt-20 -80.9 -29.86 35.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -84.33 149.46 26.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.584 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -97.39 129.61 44.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.458 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 3.7 m -87.52 114.21 23.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.68 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . 22.4 p90 -128.7 151.24 49.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -111.63 160.9 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -62.08 112.82 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.65 20.38 13.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 5.0 tp10 -111.43 138.25 48.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 43.6 mtt180 -90.84 163.61 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 48.8 m-85 -159.85 136.91 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' HG3' HD11 ' A' ' 68' ' ' ILE . 53.4 mt-30 -82.35 111.71 18.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.414 HD13 ' HB2' ' A' ' 65' ' ' ALA . 46.0 mm -67.23 106.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.3 mt -82.57 -46.36 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -140.27 126.44 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.554 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 25.5 p30 -127.68 46.75 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.6 t -73.71 -45.65 50.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.484 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 12.9 pt-20 -105.49 120.63 42.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' ASP . . . -55.15 -41.77 79.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' GLY . 19.2 m-20 -38.11 -59.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 36.4 m95 -143.41 133.46 24.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 44.0 m0 -111.16 137.55 48.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.18 122.4 27.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.414 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -139.93 161.75 36.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' A' ' 55' ' ' ILE . 27.8 ttm180 -124.06 108.45 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.1 t -45.1 134.83 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.813 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.431 HD11 ' HG3' ' A' ' 53' ' ' GLN . 9.9 mt -89.12 -33.85 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.57 -63.2 1.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.1 p -77.83 -52.51 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.77 13.23 11.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -74.6 176.58 6.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 p -154.23 145.16 22.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.482 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 172.44 -145.37 8.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 24.9 m-85 -126.17 122.66 36.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.677 HG22 ' CD1' ' A' ' 46' ' ' PHE . 37.6 pt -114.58 142.07 27.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 123.76 10.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.643 2.229 . . . . 0.0 112.334 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 14.9 p -68.52 -3.72 12.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.62 -2.72 58.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -119.23 -32.52 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.61 HG11 HD12 ' A' ' 76' ' ' ILE . 31.2 m -102.25 152.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -144.03 152.96 56.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.606 0.717 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.8 133.89 26.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.6 -5.77 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -96.13 -41.75 8.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.57 25.12 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.439 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.82 103.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -77.38 -25.18 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -116.08 27.51 9.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.637 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.07 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 3.7 mm-40 -37.78 -32.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.665 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.0 p-90 -63.12 -45.77 90.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.665 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.06 -31.14 34.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.903 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.3 m-85 -61.48 -51.01 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.6 -44.34 4.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -106.94 85.96 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.8 ttp -101.25 119.64 39.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.65 -80.75 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 99' ' ' ARG . 16.7 ttp-105 -167.62 119.23 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -171.53 153.72 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -128.46 123.95 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.07 167.07 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -172.29 153.79 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.4 p -125.34 151.64 45.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -146.11 84.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.59 4.63 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.731 2.288 . . . . 0.0 112.324 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.1 t -161.04 139.27 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 t -87.16 -56.46 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t 57.26 42.21 25.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.832 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -93.99 103.12 15.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.53 -97.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -81.64 153.15 26.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 p -80.34 98.79 7.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.79 66.9 1.37 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.13 127.99 52.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -129.69 155.47 45.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.5 m -141.51 163.64 32.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 m -144.06 169.73 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -63.44 131.19 47.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 t -70.37 -48.07 57.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -132.28 93.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -89.18 138.19 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -139.28 165.27 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -125.09 -65.26 1.03 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.9 p -124.61 154.9 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -157.77 148.37 16.06 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.69 0.757 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.91 ' HB2' HD21 ' A' ' 23' ' ' LEU . 53.3 Cg_endo -69.79 109.86 2.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.294 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -93.61 169.17 10.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.81 28.21 73.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.91 HD21 ' HB2' ' A' ' 20' ' ' PRO . 68.8 mt -65.82 -19.23 65.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.907 0.384 . . . . 0.0 110.93 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 p -44.3 -70.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.25 -106.14 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.08 -41.38 22.38 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -101.96 140.22 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.953 0.406 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -98.22 127.24 44.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.407 ' HA ' HD13 ' A' ' 29' ' ' ILE . 10.5 mm -72.01 137.36 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.5 m-85 -139.08 145.07 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.37 146.46 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -90.19 112.67 24.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.693 HD11 ' CG1' ' A' ' 82' ' ' VAL . 11.2 mt -77.09 -36.3 55.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.431 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.2 m-85 -116.12 150.7 36.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.13 114.46 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.581 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 85.3 t80 -110.42 168.96 9.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.513 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 20.3 tt0 -135.18 118.26 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.64 117.75 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.2 mtt-85 -65.15 -44.51 88.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 p -138.09 -176.15 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 42' ' ' GLU . 9.7 t -57.98 -43.8 86.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 41' ' ' THR . 4.6 pt-20 -60.41 -34.03 73.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -73.74 143.68 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.564 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -95.01 124.65 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.432 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 60.0 p -83.23 113.49 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.708 ' CD1' HG22 ' A' ' 76' ' ' ILE . 45.6 p90 -130.76 161.18 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 64.4 mmtt -129.83 166.48 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -62.56 117.94 6.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.34 15.71 31.78 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 6.9 tt0 -110.1 135.9 50.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.514 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 49.4 mtt180 -93.9 163.83 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 38.3 m-85 -160.01 136.54 8.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.542 ' HG3' HD11 ' A' ' 68' ' ' ILE . 53.5 mt-30 -81.77 113.54 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.439 HD13 ' HB2' ' A' ' 65' ' ' ALA . 46.7 mm -67.11 105.43 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.642 HD11 ' HB2' ' A' ' 66' ' ' ARG . 12.0 mt -80.77 -49.56 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -136.63 126.39 25.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -122.77 45.06 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.4 t -81.42 -42.0 21.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 58' ' ' THR . 27.3 mt-10 -95.3 108.11 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -51.82 -46.22 54.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -44.27 -59.32 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 40.6 m95 -133.33 140.8 47.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.455 ' CH2' ' OG ' ' A' ' 78' ' ' SER . 44.5 m0 -114.22 144.78 42.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -91.88 118.42 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.439 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -136.26 164.15 28.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.642 ' HB2' HD11 ' A' ' 55' ' ' ILE . 19.1 ttp-105 -123.58 104.1 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -42.95 138.03 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.542 HD11 ' HG3' ' A' ' 53' ' ' GLN . 6.1 mt -97.32 -25.17 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.67 -48.73 30.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.085 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.2 p -100.58 -42.53 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.33 14.24 18.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -73.55 176.61 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.6 p -155.34 140.57 17.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.471 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 178.05 -145.34 6.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -127.42 117.36 22.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.708 HG22 ' CD1' ' A' ' 46' ' ' PHE . 37.5 pt -110.41 142.23 25.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.66 0.743 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.73 125.74 12.52 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.455 ' OG ' ' CH2' ' A' ' 63' ' ' TRP . 32.2 t -69.87 -4.94 22.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -88.48 -2.67 58.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.431 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 4.3 m-85 -119.3 -32.34 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.593 HG11 HD12 ' A' ' 76' ' ' ILE . 30.4 m -102.27 147.82 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.693 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -138.29 152.83 72.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.558 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.7 Cg_endo -69.79 134.82 28.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.42 -5.03 4.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.01 -41.64 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -108.38 23.44 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.5 103.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -77.34 -23.59 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -117.81 27.44 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.637 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.1 pt-20 -34.77 -31.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ALA . 4.5 mp0 -37.2 -33.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.678 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.1 p-90 -61.9 -46.63 88.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.678 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.93 -31.58 40.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.451 ' CD2' ' HB2' ' A' ' 90' ' ' GLU . 8.1 m-85 -61.19 -46.14 91.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -85.09 -38.48 9.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 95' ' ' GLY . 1.3 ttpm? -34.31 -54.63 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.7 ttp -95.18 139.74 31.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.64 149.27 7.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -97.44 80.29 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -167.33 159.85 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.6 110.05 20.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.41 41.2 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -95.47 91.04 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.5 t -161.75 168.8 22.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 94.22 146.22 19.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.442 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.47 21.15 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -45.81 -52.02 11.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.7 t -161.71 125.52 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -173.96 177.62 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -174.17 177.23 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.04 178.24 40.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -161.94 176.73 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 t -114.55 -63.72 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.89 159.62 35.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.42 120.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 p -166.53 177.52 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.7 m 62.16 50.99 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.7 p -148.66 155.78 41.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 13' ' ' SER . 21.0 t80 74.62 43.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' PHE . 29.0 m -38.22 146.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -164.66 143.43 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 15' ' ' VAL . 35.9 m -36.48 116.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.4 t -166.04 177.86 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' SER . 14.5 t -36.4 -61.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -73.86 128.04 34.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -98.5 148.2 34.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.683 0.754 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.32 68.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 p -92.76 108.42 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.48 67.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.3 mp -102.79 116.33 32.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 110.898 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 50.8 m -62.28 88.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.36 72.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.5 -58.04 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.18 141.34 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 m -111.31 137.18 49.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' A' ' 29' ' ' ILE . 12.2 mm -78.13 138.28 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.477 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.3 m-85 -140.63 143.88 35.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.49 146.3 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.92 115.34 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.605 HD11 ' CG1' ' A' ' 82' ' ' VAL . 9.5 mt -79.55 -36.94 37.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -115.04 152.51 32.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -81.05 128.46 33.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.9 t80 -124.69 168.86 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.519 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 2.0 tp10 -136.04 121.77 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.01 111.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 16.9 mtm105 -63.31 -42.07 99.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.0 p -138.88 -175.02 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -64.14 -33.3 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -71.29 -23.82 62.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -84.92 144.06 28.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.576 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -94.66 129.95 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.9 p -86.84 114.19 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.716 ' CD1' HG22 ' A' ' 76' ' ' ILE . 30.2 p90 -130.05 168.27 17.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -134.17 160.47 37.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -61.48 112.35 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.91 18.18 11.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.7 tt0 -113.5 140.41 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 57.5 mtt180 -96.28 161.32 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.558 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 32.7 m-85 -157.82 141.4 15.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -85.63 110.19 19.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.1 mm -64.25 106.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.734 HD11 ' HB2' ' A' ' 66' ' ' ARG . 16.6 mt -83.12 -48.15 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -136.01 130.53 33.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -123.62 42.16 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 59' ' ' GLU . 10.0 t -83.06 -44.27 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' N ' HG23 ' A' ' 58' ' ' THR . 14.8 mt-10 -84.43 100.02 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.79 -36.4 26.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.99 -55.56 31.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.541 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 35.8 m95 -132.87 135.69 45.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 49.9 m0 -108.47 144.17 36.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -90.39 121.97 32.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.76 160.37 40.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.734 ' HB2' HD11 ' A' ' 55' ' ' ILE . 10.7 ttt180 -121.53 106.07 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.4 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 1.3 m -45.13 142.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.4 mt -93.86 -32.37 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.26 -56.45 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.2 p -80.59 -24.64 38.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.98 13.02 83.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -71.64 175.65 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 p -157.0 141.44 16.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 170.88 -136.47 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -131.84 128.47 38.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.716 HG22 ' CD1' ' A' ' 46' ' ' PHE . 35.7 pt -120.7 142.77 34.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 111.101 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.541 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.72 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.2 p -64.67 -6.22 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -87.21 -2.16 58.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -119.26 -30.96 4.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.491 HG11 HD12 ' A' ' 76' ' ' ILE . 30.9 m -104.5 141.71 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.605 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -131.48 152.84 81.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 111.176 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.477 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.74 133.94 26.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.731 2.287 . . . . 0.0 112.316 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -5.64 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -96.25 -41.67 8.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.63 23.72 14.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.7 103.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.04 -25.0 52.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -116.87 28.24 8.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.637 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.9 pt-20 -35.24 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ALA . 28.1 mt-10 -37.78 -33.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.683 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 28.4 p-90 -62.37 -46.52 88.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.683 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.02 -31.24 39.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.501 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.6 m-85 -61.32 -46.76 88.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.84 -43.67 7.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 92' ' ' TRP . 1.9 mmmp? -49.02 -72.39 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 43.8 ttm -73.93 147.71 42.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.5 142.32 15.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -167.18 115.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -42.02 -54.12 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -45.39 -43.87 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.57 -43.39 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -46.97 102.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.4 t -128.47 98.04 4.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.404 ' HA2' ' HD2' ' A' ' 106' ' ' PRO . . . 115.18 95.26 2.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.404 ' HD2' ' HA2' ' A' ' 105' ' ' GLY . 53.7 Cg_endo -69.78 -9.0 25.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.5 m -58.58 130.85 48.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.4 p -56.07 139.91 45.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -159.48 122.91 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.838 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 t -141.37 159.8 41.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.85 135.4 4.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t -127.92 149.85 50.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -120.1 105.86 11.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.75 -100.95 0.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.11 45.92 25.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 111.06 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 p -133.96 129.21 35.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.1 p -159.94 175.84 12.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.0 p -131.34 165.17 24.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -92.89 152.53 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.5 p -168.86 157.49 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.2 p -61.6 144.2 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -125.07 161.43 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -171.84 153.59 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.0 m -153.01 113.32 4.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -117.31 114.23 23.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -125.29 152.25 70.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.67 0.747 . . . . 0.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 161.57 45.4 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 p -93.78 -44.55 8.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.12 94.6 1.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mp -105.22 90.22 3.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.6 p -41.46 -55.28 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.08 -160.59 26.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.541 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.57 -44.95 3.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.527 HG11 ' HB3' ' A' ' 53' ' ' GLN . 66.1 t -95.98 141.47 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 111.086 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 m -102.78 131.38 49.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.1 mm -71.53 134.05 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.541 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.4 m-85 -137.25 141.67 42.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 t -118.43 144.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -89.02 113.78 24.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.625 HD11 ' CG1' ' A' ' 82' ' ' VAL . 13.2 mt -78.76 -36.04 43.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.422 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.1 m-85 -117.38 145.73 43.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -71.79 135.97 46.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 80.3 t80 -136.23 154.74 50.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -122.81 119.04 29.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -52.27 106.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -51.18 -24.25 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 t -173.72 165.4 4.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.2 p -37.69 -46.81 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -48.36 -49.27 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -76.95 162.32 27.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -104.74 130.3 52.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.459 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 95.8 p -86.03 117.7 25.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.624 ' CD1' HG22 ' A' ' 76' ' ' ILE . 40.3 p90 -135.58 154.08 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -116.86 166.87 11.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -65.06 112.66 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.68 26.04 7.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 1.7 tp10 -115.19 139.63 49.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 27.7 mtt180 -93.33 160.83 14.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 46' ' ' PHE . 30.2 m-85 -160.62 137.41 8.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.527 ' HB3' HG11 ' A' ' 27' ' ' VAL . 61.7 mt-30 -84.37 113.31 21.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.413 HD13 ' HB2' ' A' ' 65' ' ' ALA . 48.5 mm -65.69 108.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.629 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.3 mt -82.34 -51.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -130.64 131.11 44.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -122.49 45.44 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 t -91.73 -41.2 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -88.57 99.21 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.33 -47.19 35.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -49.04 -54.37 16.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 25.9 m95 -136.69 138.13 40.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.514 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 47.6 m0 -109.34 144.66 37.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -91.37 117.44 29.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -134.46 169.17 17.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.629 ' HB2' HD11 ' A' ' 55' ' ' ILE . 27.9 ttm180 -128.48 105.47 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -45.85 141.91 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.3 mt -97.33 -27.11 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.33 -67.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -78.14 -44.23 26.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.89 31.35 5.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -93.21 176.46 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.6 p -154.0 142.3 20.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.477 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 177.03 -136.15 3.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.482 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.46 ' H ' ' N ' ' A' ' 44' ' ' LEU . 15.5 m-85 -132.52 123.68 27.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.624 HG22 ' CD1' ' A' ' 46' ' ' PHE . 35.9 pt -118.14 139.68 26.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.678 0.752 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.79 119.83 6.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.514 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 59.9 p -64.33 -8.22 12.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -83.36 -8.02 59.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.422 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.8 m-85 -113.76 -33.96 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 76' ' ' ILE . 32.7 m -102.69 139.09 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.625 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -128.09 152.84 78.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.541 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.4 Cg_endo -69.79 132.13 22.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.94 -7.35 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -94.92 -40.85 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -111.62 29.87 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.446 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -40.79 103.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.128 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -77.22 -19.94 55.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -119.95 26.08 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.642 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.26 -30.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 89' ' ' ALA . 53.6 mt-10 -37.67 -32.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.687 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.6 p-90 -62.8 -46.47 87.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.687 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.9 -31.27 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.7 m-85 -61.32 -49.03 78.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.99 -47.57 5.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' MET . 17.7 tptm -99.53 141.99 31.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 96' ' ' LYS . 40.8 mtp -36.41 147.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.31 -38.2 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -97.36 178.27 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -171.81 129.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -132.38 147.43 52.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.84 177.96 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -116.4 -67.33 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.1 t -147.84 178.9 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.82 -158.62 22.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.12 37.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -163.74 138.08 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.8 t -120.54 120.17 35.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.5 p 38.68 42.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.838 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -93.93 164.77 12.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.15 -122.19 2.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 p 46.95 42.36 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.878 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -61.96 -60.54 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.67 160.09 7.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.92 118.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.318 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -154.61 106.32 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -130.46 124.53 32.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 m -134.14 128.96 35.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -150.95 169.53 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.0 m -136.27 137.7 41.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -111.68 11.33 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 p -172.12 131.75 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t -159.88 158.19 30.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.7 t -154.98 156.47 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -117.31 97.89 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -116.5 150.89 46.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' O ' HD11 ' A' ' 23' ' ' LEU . 53.5 Cg_endo -69.75 147.47 63.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.363 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.3 p -116.12 159.45 21.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.26 52.67 50.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.463 HD11 ' O ' ' A' ' 20' ' ' PRO . 6.1 mp -80.78 -20.15 43.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.4 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.1 m -59.43 138.15 57.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.79 141.04 27.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.539 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.43 -52.58 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.34 136.41 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.935 0.398 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -122.24 136.29 54.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.416 ' HA ' HD13 ' A' ' 29' ' ' ILE . 12.0 mm -79.34 138.48 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 11.3 m-85 -141.76 143.14 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 t -117.89 147.27 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.84 115.61 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 92' ' ' TRP . 12.5 mt -80.66 -35.28 34.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.447 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.9 m-85 -114.15 151.8 32.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -84.92 128.12 34.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 78.9 t80 -130.61 168.59 16.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.546 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 35.8 tp10 -136.47 121.42 18.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.519 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.45 112.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -64.85 -46.92 79.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.6 p -128.28 162.26 27.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -48.21 -32.73 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.52 -32.85 73.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.08 159.55 30.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.652 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -111.79 126.23 54.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.519 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 4.7 t -86.24 139.74 30.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CE1' HG22 ' A' ' 76' ' ' ILE . 3.9 p90 -151.04 166.25 31.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -126.76 157.01 40.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -58.46 106.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.16 29.35 4.31 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -117.59 147.71 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.522 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 9.6 mtt85 -101.45 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 16.2 m-85 -161.04 136.09 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.629 ' HG3' HD11 ' A' ' 68' ' ' ILE . 36.8 mt-30 -81.75 113.19 19.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.9 mm -65.88 106.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.743 HD11 ' HB2' ' A' ' 66' ' ' ARG . 12.9 mt -83.4 -46.47 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -140.22 125.28 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.457 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 19.5 p30 -126.27 45.01 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.9 t -74.78 -46.2 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.481 ' N ' HG23 ' A' ' 58' ' ' THR . 0.9 OUTLIER -102.81 119.82 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.14 -41.01 94.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' CD1' ' A' ' 62' ' ' TRP . 2.7 m-20 -40.67 -51.35 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 48.7 m95 -148.36 133.25 18.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 46.6 m0 -109.08 141.64 40.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -87.63 114.83 24.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -132.63 157.23 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.743 ' HB2' HD11 ' A' ' 55' ' ' ILE . 8.2 ttt180 -120.43 104.06 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.471 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 1.2 t -42.71 138.3 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.629 HD11 ' HG3' ' A' ' 53' ' ' GLN . 6.7 mt -96.62 -31.08 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.07 -57.82 4.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 75.9 p -90.89 -44.06 9.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.67 17.33 9.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.581 ' HB3' HD21 ' A' ' 44' ' ' LEU . 55.3 mttt -70.73 167.75 18.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.9 p -156.71 135.55 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.485 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 175.21 -131.43 1.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.486 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 19.4 m-85 -132.33 126.5 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.957 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.652 HG23 ' HB3' ' A' ' 44' ' ' LEU . 31.3 pt -122.25 140.88 33.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.8 118.85 5.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 96.0 p -63.11 -10.03 13.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -82.48 -4.05 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.447 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.7 m-85 -117.32 -31.81 5.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.487 HG11 HD12 ' A' ' 76' ' ' ILE . 31.3 m -102.95 146.45 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.526 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.4 m -138.09 153.13 73.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.547 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.76 134.0 26.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.75 -5.58 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -96.26 -41.74 8.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.62 24.98 12.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.444 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.59 103.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -77.12 -20.95 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -120.08 27.12 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.641 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.8 pt-20 -34.97 -31.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 20.0 mt-10 -37.16 -33.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.694 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.0 p-90 -62.08 -47.78 83.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.694 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -78.53 -31.03 47.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.505 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.3 m-85 -61.78 -44.42 96.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -85.72 -32.22 19.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' GLY . 31.3 tptt -33.22 134.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tpp -53.8 -48.45 69.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.96 -170.85 0.23 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -160.4 134.35 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -78.18 127.02 31.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -97.82 136.22 38.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.57 157.17 46.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -81.71 -56.08 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.5 t -173.21 125.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -160.29 146.05 12.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.21 9.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.4 m -125.02 165.97 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 97.6 p -170.15 134.6 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -75.93 143.84 41.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 p -152.14 161.19 43.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.08 119.45 0.83 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 p -84.55 175.29 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -172.46 126.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.84 -169.37 5.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.82 171.58 14.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.1 m -107.7 151.9 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.5 p -95.13 133.63 38.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -144.4 145.44 31.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -127.36 167.62 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.3 p -154.91 148.33 25.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 14' ' ' VAL . 11.3 p -149.75 128.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.52 143.87 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 m -107.0 -47.0 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.0 p -138.63 133.55 32.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.9 m -44.68 161.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -114.41 144.16 31.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' O ' HD11 ' A' ' 23' ' ' LEU . 53.9 Cg_endo -69.74 154.47 67.79 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.369 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.9 p -98.15 16.83 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.2 72.14 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.5 mp -93.15 -18.28 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.3 p -73.98 107.49 6.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 145.51 75.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.47 -43.62 1.44 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -114.17 143.75 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.935 0.398 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.7 m -110.52 134.55 52.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.4 mm -76.5 139.16 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.4 m-85 -140.67 144.92 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG22 ' HG2' ' A' ' 51' ' ' ARG . 3.7 t -121.96 146.9 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.48 118.4 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.544 HD22 ' CD1' ' A' ' 92' ' ' TRP . 5.6 mt -85.19 -32.62 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.8 m-85 -114.93 154.19 29.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -83.76 119.81 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 91.1 t80 -120.43 160.2 23.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 19.1 tt0 -129.93 121.26 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -55.03 112.18 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -57.31 -21.21 33.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -171.84 163.57 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.6 m -38.18 -46.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -50.36 -43.1 54.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.6 154.52 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.556 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -97.18 127.58 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.42 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 2.5 p -85.79 111.95 20.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.72 ' CD1' HG22 ' A' ' 76' ' ' ILE . 39.0 p90 -129.11 154.81 46.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -120.65 162.56 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -60.91 108.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.1 35.22 3.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 17.0 tt0 -128.02 135.63 50.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.908 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HG2' HG22 ' A' ' 31' ' ' VAL . 50.8 mtt180 -92.74 155.68 17.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 35.8 m-85 -152.2 144.69 24.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' HG3' HD11 ' A' ' 68' ' ' ILE . 34.6 mt-30 -86.89 108.95 19.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.402 HD13 ' HB2' ' A' ' 65' ' ' ALA . 41.3 mm -64.49 104.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.635 HD11 ' HB2' ' A' ' 66' ' ' ARG . 18.1 mt -81.68 -47.17 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -135.03 124.11 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 25.4 p30 -117.57 38.9 3.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.7 t -85.06 -39.72 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 10.9 mt-10 -94.96 98.86 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.54 -55.18 14.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 17.2 p-10 -40.79 -48.14 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.759 0.314 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 41.1 m95 -144.35 131.44 20.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.5 ' CH2' ' HB2' ' A' ' 78' ' ' SER . 38.0 m0 -108.79 149.54 28.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -93.66 110.67 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -130.13 153.07 48.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.635 ' HB2' HD11 ' A' ' 55' ' ' ILE . 35.6 ttm180 -117.7 108.29 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.4 t -42.11 135.73 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.465 HD11 ' HG3' ' A' ' 53' ' ' GLN . 5.4 mt -92.37 -24.98 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.04 -61.02 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.3 p -80.85 -51.47 8.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.53 10.71 12.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -70.94 171.91 9.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.0 p -154.47 144.0 21.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.469 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.4 -138.44 4.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.471 ' H ' ' N ' ' A' ' 44' ' ' LEU . 18.5 m-85 -132.45 127.22 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.72 HG22 ' CD1' ' A' ' 46' ' ' PHE . 32.2 pt -120.62 142.3 33.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.78 122.12 8.8 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.5 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 54.4 p -66.86 -4.02 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -89.04 -3.26 58.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.403 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.2 m-85 -118.53 -32.49 4.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.572 HG11 HD12 ' A' ' 76' ' ' ILE . 30.2 m -102.11 147.64 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -138.87 152.67 70.86 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.643 0.735 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.8 Cg_endo -69.77 133.28 25.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -6.91 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -95.2 -41.53 9.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -109.92 28.02 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.453 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -38.9 104.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.669 ' OE1' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -76.04 -30.2 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.669 ' HB2' ' OE1' ' A' ' 88' ' ' GLN . . . -106.66 24.94 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.62 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -36.29 -28.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 89' ' ' ALA . 25.9 mt-10 -41.44 -32.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.686 ' CZ3' ' CB ' ' A' ' 93' ' ' TYR . 27.4 p-90 -61.82 -44.98 95.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.686 ' CB ' ' CZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.22 -32.09 38.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 9.2 m-85 -60.53 -48.23 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -84.15 -39.41 9.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 95' ' ' GLY . 12.6 ttmt -34.43 149.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.726 0.298 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 28.7 ttm -39.15 105.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 123.03 49.84 0.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -48.31 -58.09 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -85.29 109.11 18.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -101.68 127.68 48.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -173.12 170.13 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -76.5 177.07 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 t -157.8 169.66 24.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -55.17 158.03 7.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -36.08 11.51 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.74 2.293 . . . . 0.0 112.323 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 85.9 p -58.63 -50.42 73.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.6 m -61.07 153.65 24.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -174.93 172.99 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.378 . . . . 0.0 110.833 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -169.82 147.58 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.95 131.89 4.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -174.92 158.83 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -157.43 143.0 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.71 -99.03 0.15 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.49 44.19 27.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -158.11 117.15 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.4 m -92.23 113.87 26.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -143.01 145.57 33.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -42.7 -57.24 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -138.48 148.38 44.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.3 m -105.01 -39.86 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.167 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 t 44.87 40.96 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -135.57 116.03 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -129.59 169.34 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.6 t -48.2 135.34 13.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -53.73 145.74 29.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.669 0.747 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.503 ' HG2' HD21 ' A' ' 23' ' ' LEU . 53.3 Cg_endo -69.8 -179.17 2.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.1 p -123.78 177.5 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.38 52.19 46.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.503 HD21 ' HG2' ' A' ' 20' ' ' PRO . 53.3 mt -89.25 -21.01 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.929 0.395 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 50.5 m -107.23 86.67 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.58 -101.69 1.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.28 -46.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.45 138.93 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -107.32 131.0 54.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.7 mm -74.98 138.36 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.9 m-85 -139.9 145.39 37.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.99 146.89 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.8 114.37 26.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' CD1' ' A' ' 92' ' ' TRP . 13.4 mt -79.47 -35.87 39.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -115.19 156.23 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 124.53 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 88.2 t80 -125.23 168.79 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 27.7 tt0 -138.09 120.54 16.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HB3' ' OG ' ' A' ' 45' ' ' SER . . . -51.59 110.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -60.09 -47.52 85.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.4 p -125.54 163.03 23.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -51.57 -23.22 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -76.85 -31.59 56.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.86 150.22 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.653 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -94.95 127.68 41.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.429 ' OG ' ' HB3' ' A' ' 38' ' ' ALA . 6.2 m -87.74 118.27 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.703 ' CD1' HG22 ' A' ' 76' ' ' ILE . 20.9 p90 -132.79 165.25 25.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -131.02 157.9 41.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -58.74 113.53 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.93 25.08 7.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 31.8 tt0 -119.56 139.28 52.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -94.05 158.58 15.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 36.0 m-85 -156.16 135.63 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' HG3' HD11 ' A' ' 68' ' ' ILE . 48.8 mt-30 -82.42 113.64 20.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.493 HG21 ' ND2' ' A' ' 57' ' ' ASN . 19.4 mm -64.82 112.24 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.737 HD11 ' HB2' ' A' ' 66' ' ' ARG . 15.0 mt -87.74 -49.48 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -137.98 123.26 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.542 ' OD1' ' CG ' ' A' ' 63' ' ' TRP . 8.6 m-20 -120.5 45.22 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.8 t -89.08 -41.04 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.421 ' N ' HG23 ' A' ' 58' ' ' THR . 17.5 mt-10 -91.75 97.11 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -43.93 -49.2 7.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -38.77 -59.97 0.89 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.748 0.309 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 36.4 m95 -138.63 138.65 38.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CG ' ' OD1' ' A' ' 57' ' ' ASN . 46.1 m0 -105.69 144.06 32.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.34 111.35 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.66 163.76 23.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.737 ' HB2' HD11 ' A' ' 55' ' ' ILE . 6.4 ttt85 -125.77 106.71 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t -42.34 141.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.411 HD11 ' HG3' ' A' ' 53' ' ' GLN . 9.5 mt -96.18 -31.52 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.163 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.32 -60.96 2.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.5 p -79.55 -45.37 19.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.09 14.42 24.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -73.68 175.01 7.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.414 ' C ' ' HG ' ' A' ' 44' ' ' LEU . 42.6 p -155.42 144.01 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.48 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 172.31 -140.12 5.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.48 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 22.0 m-85 -128.22 123.54 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.703 HG22 ' CD1' ' A' ' 46' ' ' PHE . 31.9 pt -118.37 140.97 28.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.718 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.77 123.61 10.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.2 p -66.95 -16.72 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -76.8 -2.28 32.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -119.29 -31.82 4.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.636 HG11 HD12 ' A' ' 76' ' ' ILE . 32.6 m -102.13 148.54 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.496 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -140.9 152.93 66.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.677 0.751 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.76 134.06 27.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.04 -4.92 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -96.91 -39.49 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -111.45 26.92 10.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.46 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -38.56 103.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -78.08 -21.1 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -117.88 25.66 10.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.622 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.92 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 89' ' ' ALA . 52.3 mt-10 -40.03 -32.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.675 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.4 p-90 -61.16 -43.85 98.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.675 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.57 -32.44 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.919 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.622 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.2 m-85 -60.02 -45.47 92.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -98.14 -49.57 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.445 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -94.42 117.91 30.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.941 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.4 mtm -44.05 -48.38 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.99 -95.95 2.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -124.3 -59.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.382 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -162.78 154.66 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.57 173.73 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.64 106.77 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -138.6 111.53 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 t -76.76 -59.76 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 139.97 -94.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.39 3.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.384 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.1 p -150.82 127.48 10.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.5 m -84.32 41.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -139.97 126.99 20.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.832 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p -165.67 164.71 19.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.92 151.63 6.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -146.32 177.42 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -154.73 127.86 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.58 159.8 32.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.31 107.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -76.29 94.89 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.6 p -146.11 148.48 32.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.3 m -128.5 -176.57 3.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' CD2' ' N ' ' A' ' 13' ' ' SER . 40.1 p90 -88.87 -55.77 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.457 ' N ' ' CD2' ' A' ' 12' ' ' PHE . 31.2 t -174.88 123.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -114.42 115.52 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.5 t -128.69 -69.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.0 t -102.33 -70.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m 62.45 39.2 12.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -124.06 123.59 40.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -96.09 144.32 27.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.693 0.758 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -165.16 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.735 2.29 . . . . 0.0 112.336 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.6 p -143.75 146.64 33.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 23' ' ' LEU . . . 117.19 -46.5 1.14 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -32.92 148.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.0 110.892 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -148.6 -176.82 5.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.35 153.39 6.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.46 33.21 2.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.557 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -122.28 141.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 111.122 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 m -109.79 137.28 47.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.2 mm -79.34 140.72 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 16.5 m-85 -141.67 144.56 34.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.54 146.8 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -90.94 113.81 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.618 HD11 HG11 ' A' ' 82' ' ' VAL . 12.0 mt -79.56 -35.4 39.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -116.46 143.85 45.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -73.98 130.56 40.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 75.0 t80 -128.35 168.57 15.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.549 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 7.8 tt0 -136.1 119.98 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.56 108.36 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -63.18 -47.77 81.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.8 p -127.34 158.2 37.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -45.97 -29.26 1.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.73 -37.05 76.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -74.64 145.78 42.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.572 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -91.27 130.43 37.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.3 p -86.8 113.67 22.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.695 ' CD1' HG22 ' A' ' 76' ' ' ILE . 26.0 p90 -129.57 165.73 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 15.5 mmtp -132.3 161.7 32.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -61.62 112.29 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.73 15.32 20.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.514 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 18.1 tt0 -109.49 135.8 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 52.0 mtt180 -88.02 161.44 17.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.671 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 55.8 m-85 -158.92 136.01 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -83.98 113.06 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.07 111.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.807 HD11 ' HB2' ' A' ' 66' ' ' ARG . 22.5 mt -88.51 -51.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -131.61 125.6 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -119.99 39.47 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 59' ' ' GLU . 7.4 t -85.64 -42.62 14.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' N ' HG23 ' A' ' 58' ' ' THR . 21.6 mt-10 -83.29 97.8 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.51 -35.01 21.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.52 -53.79 51.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 38.4 m95 -135.85 138.21 42.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.506 ' CD2' ' HB3' ' A' ' 78' ' ' SER . 53.7 m0 -109.58 135.53 50.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -82.48 118.06 22.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.87 158.55 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.807 ' HB2' HD11 ' A' ' 55' ' ' ILE . 19.1 ttm-85 -119.51 109.47 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.39 138.48 13.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 mt -93.22 -43.8 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.85 -62.19 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -80.35 -50.59 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.22 16.29 10.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -76.82 176.66 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 p -153.94 139.26 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.83 -140.51 4.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -130.12 128.11 41.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.838 HD12 HG11 ' A' ' 81' ' ' VAL . 37.4 pt -121.88 139.68 30.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.81 116.14 4.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.506 ' HB3' ' CD2' ' A' ' 63' ' ' TRP . 76.1 p -57.03 -27.07 61.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -65.13 -5.97 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.48 -33.34 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.838 HG11 HD12 ' A' ' 76' ' ' ILE . 28.6 m -102.35 141.28 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.618 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -133.59 152.9 79.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.717 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.485 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.5 Cg_endo -69.79 135.38 30.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.06 -4.43 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -39.82 8.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -110.71 24.15 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.449 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -34.22 103.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -77.05 -17.79 58.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -122.45 26.23 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.635 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -34.97 -31.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 89' ' ' ALA . 22.9 mt-10 -37.41 -34.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.674 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 26.8 p-90 -60.94 -45.9 92.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.674 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -81.13 -31.36 34.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -61.73 -41.33 97.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.62 -51.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -89.49 84.93 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.1 mtm -56.89 152.39 12.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.81 53.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -133.21 106.9 7.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -109.67 159.44 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -162.46 159.33 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -166.95 110.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -152.43 144.52 23.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.8 p -129.32 154.48 46.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 140.82 84.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.456 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 145.62 57.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 65.5 m -161.92 160.77 28.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.5 m -125.98 94.9 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -76.04 130.81 38.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -137.13 151.44 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.92 153.0 9.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -163.75 116.26 1.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.836 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 p -119.84 161.32 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.03 74.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.61 170.52 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.1 p -61.46 161.92 8.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.9 p -108.44 158.78 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -92.4 156.19 17.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -155.58 114.89 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 t -136.29 106.8 6.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -61.35 132.9 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.2 t -143.09 132.84 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.8 m -68.95 113.47 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -114.66 89.49 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.2 p -65.37 141.91 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -56.95 151.54 32.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.681 0.753 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.431 ' O ' HD11 ' A' ' 23' ' ' LEU . 53.3 Cg_endo -69.73 139.65 40.84 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 p -110.82 160.12 17.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.37 57.32 17.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.431 HD11 ' O ' ' A' ' 20' ' ' PRO . 5.8 mp -77.49 95.95 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 50.1 p -154.49 116.28 4.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 149.13 -137.93 6.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.53 46.89 1.05 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -118.19 139.07 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -110.19 133.0 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 29' ' ' ILE . 9.9 mm -73.76 137.0 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.3 m-85 -138.57 142.45 39.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 t -118.4 144.06 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -89.89 115.42 27.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.46 HD11 HG11 ' A' ' 82' ' ' VAL . 17.3 mt -80.89 -34.71 33.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 2.0 m-85 -117.76 139.88 50.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.98 130.43 40.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.587 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 79.7 t80 -129.79 168.7 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 13.4 tm-20 -136.35 119.97 17.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB3' ' OG ' ' A' ' 45' ' ' SER . . . -51.81 106.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -59.95 -47.72 84.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p -127.6 154.6 45.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -44.44 -23.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.47 -40.18 70.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -74.52 159.07 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.586 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -102.05 131.18 48.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.459 ' OG ' ' HB3' ' A' ' 38' ' ' ALA . 54.1 m -84.53 118.01 24.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.692 ' CD1' HG22 ' A' ' 76' ' ' ILE . 39.2 p90 -137.06 162.18 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 21.6 mmtp -130.77 168.84 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -64.89 117.12 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.47 23.63 12.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 17.6 tt0 -117.12 136.86 52.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 37.7 mtt-85 -93.38 163.34 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 34.7 m-85 -160.36 137.45 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -82.44 112.43 19.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.15 107.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 66' ' ' ARG . 13.5 mt -82.78 -52.26 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -130.65 129.65 42.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -122.98 43.54 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.8 t -84.84 -44.99 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 58' ' ' THR . 20.8 mt-10 -88.47 103.63 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.28 -37.79 55.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -51.89 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.54 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 40.6 m95 -139.36 136.19 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.7 m0 -110.09 144.91 37.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -91.2 116.18 28.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.92 161.62 31.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.717 ' HB2' HD11 ' A' ' 55' ' ' ILE . 47.5 ttp180 -123.27 103.34 8.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.406 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 7.7 m -40.38 141.61 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mt -93.39 -48.9 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 p -76.96 -58.09 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.37 12.26 9.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -71.1 175.93 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.5 p -156.42 140.56 16.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 176.03 -138.89 4.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -128.68 128.79 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.938 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.692 HG22 ' CD1' ' A' ' 46' ' ' PHE . 34.8 pt -122.91 141.43 35.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.54 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.77 121.25 7.94 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 83.3 p -66.74 -4.1 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -88.41 -5.9 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.8 m-85 -114.79 -34.95 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 32' ' ' ALA . 35.4 m -102.17 138.58 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.46 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -128.64 152.94 79.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.612 0.72 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.533 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.79 132.58 23.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.316 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.77 -7.34 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -94.44 -41.92 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -109.33 29.16 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.449 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -41.17 103.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -77.54 -16.57 58.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -122.9 25.29 8.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.628 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.2 pt-20 -35.2 -30.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 89' ' ' ALA . 3.1 mp0 -38.55 -35.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.695 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 27.9 p-90 -59.64 -45.07 93.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.695 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.6 -32.67 36.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.451 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.8 m-85 -59.46 -44.28 93.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.7 -50.8 1.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' TRP . 21.8 tptm -94.76 94.87 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.729 0.3 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.6 ptm -159.87 174.37 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.77 -121.01 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -68.63 104.68 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -60.97 126.97 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -171.78 114.61 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -153.45 114.78 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -71.08 120.22 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.3 p -101.18 149.9 23.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.14 153.35 21.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.484 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 98.83 0.71 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -144.52 172.28 13.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.0 t -72.99 112.14 8.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -157.46 150.44 23.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -157.76 135.27 10.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.43 172.26 22.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -150.4 152.24 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -48.22 129.69 15.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.59 -168.06 38.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.03 82.13 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -89.55 119.79 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 p -101.57 42.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.4 p -166.08 167.39 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -113.56 -52.61 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -124.41 41.77 3.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 14' ' ' VAL . 15.7 t 65.03 50.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -159.97 137.72 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.1 p -53.11 148.39 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.2 p -70.64 -43.02 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.4 p -39.4 136.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -45.44 147.3 1.45 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.648 0.737 . . . . 0.0 110.96 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 169.62 18.48 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 p -108.94 162.09 14.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.96 53.21 5.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mp -83.93 -21.38 31.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.875 0.369 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.3 m -143.61 125.67 15.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.4 110.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.531 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.96 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -105.72 149.42 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.924 0.392 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 m -120.2 134.55 55.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.2 mm -76.5 141.03 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.524 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 14.4 m-85 -142.45 144.19 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.27 144.26 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -86.89 114.01 23.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.669 HD11 HG11 ' A' ' 82' ' ' VAL . 20.6 mt -77.56 -37.01 51.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.512 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.7 m-85 -118.63 144.31 46.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -72.29 135.21 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 59.4 t80 -136.18 158.26 44.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 2.1 tp10 -123.99 120.42 32.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -53.04 110.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -54.6 -28.65 47.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.9 168.52 19.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -44.81 -38.37 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.3 -40.92 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -81.46 156.4 25.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.485 ' HB3' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -100.16 126.7 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.478 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 18.6 p -84.72 115.41 22.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.6 ' CD1' HG22 ' A' ' 76' ' ' ILE . 33.6 p90 -131.01 166.54 20.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.829 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 25.0 mmtp -132.98 165.58 24.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -64.14 113.6 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.69 24.66 8.06 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 16.0 tt0 -118.89 136.87 53.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 74.5 mtt180 -93.42 163.36 13.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 30.8 m-85 -159.78 142.9 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -86.3 108.73 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.452 HD13 ' HB2' ' A' ' 65' ' ' ALA . 43.1 mm -64.6 108.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 66' ' ' ARG . 21.3 mt -83.81 -50.92 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -129.69 123.21 30.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -119.78 34.82 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.1 t -83.89 -45.23 13.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.477 ' N ' HG23 ' A' ' 58' ' ' THR . 13.8 mt-10 -81.66 97.43 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -48.29 -43.72 26.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -50.38 -60.88 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.489 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 64.2 m95 -128.88 138.11 51.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.439 ' CD2' ' HB3' ' A' ' 78' ' ' SER . 44.8 m0 -110.52 136.09 50.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.04 123.76 33.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -142.11 159.5 42.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.497 ' HB2' HD11 ' A' ' 55' ' ' ILE . 23.8 ttm180 -121.86 106.3 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.91 143.62 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.1 mt -96.68 -36.32 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.37 -57.45 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.6 p -78.98 -38.41 36.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.5 20.23 35.58 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' CB ' HD21 ' A' ' 44' ' ' LEU . 15.9 mttp -82.8 171.33 14.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 p -156.85 131.23 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.473 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . -176.89 -132.83 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -132.58 120.91 22.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.877 HD12 HG11 ' A' ' 81' ' ' VAL . 47.3 pt -114.99 141.41 26.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.49 ' HD2' ' CE1' ' A' ' 46' ' ' PHE . 53.6 Cg_endo -69.75 117.04 4.85 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.439 ' HB3' ' CD2' ' A' ' 63' ' ' TRP . 94.2 p -60.87 -9.5 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -82.8 -4.18 57.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.512 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 2.9 m-85 -118.7 -30.27 5.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.877 HG11 HD12 ' A' ' 76' ' ' ILE . 35.1 m -102.34 145.77 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.669 HG11 HD11 ' A' ' 33' ' ' LEU . 1.4 m -139.27 152.9 70.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.639 0.733 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.524 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.3 Cg_endo -69.85 133.56 25.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.74 -5.52 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -95.9 -41.77 8.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -107.96 23.25 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.7 OUTLIER -33.7 103.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.73 -23.0 49.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.544 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -118.59 27.76 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.631 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 1.5 pt-20 -35.49 -29.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' ALA . 25.8 mt-10 -39.22 -32.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.658 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.0 p-90 -62.39 -44.41 96.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.658 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -82.38 -31.37 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 9.0 m-85 -61.03 -48.12 83.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.16 -43.21 3.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.75 97.46 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' A' ' 97' ' ' MET . 2.2 tmm? -71.55 -54.58 10.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.13 64.74 0.74 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -39.8 136.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -146.95 147.56 30.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.22 151.55 40.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -140.07 161.52 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -121.1 -60.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 72.8 m 61.26 53.7 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.15 146.22 17.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 123.84 10.49 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.317 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.6 p -119.6 -46.26 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.2 m -43.44 -47.51 7.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.464 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -158.68 133.47 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.825 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -152.09 158.46 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.03 165.53 37.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -146.76 173.88 11.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -156.71 169.6 24.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.72 175.6 13.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.64 175.66 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.6 p -110.11 -59.61 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 t -172.69 117.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -143.21 163.42 32.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -117.96 -46.52 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -135.44 153.55 51.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.43 -58.94 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.2 t -103.96 121.27 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -80.95 -54.16 5.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.1 p -123.31 118.13 26.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -53.53 126.23 20.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.508 ' C ' ' CD1' ' A' ' 19' ' ' TYR . 2.8 p90 -119.62 143.92 35.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 110.935 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 137.87 36.59 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -76.34 47.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -156.29 75.43 0.22 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.828 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -109.92 104.13 13.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 m -98.89 -45.95 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.8 106.27 3.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.69 -58.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.2 t -97.26 147.07 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 111.106 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -97.48 129.99 44.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mm -77.47 141.75 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 18.9 m-85 -142.61 143.73 32.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.44 148.68 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.73 111.45 23.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.627 HD11 HG11 ' A' ' 82' ' ' VAL . 12.9 mt -76.54 -35.9 57.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -115.04 150.81 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.85 131.26 35.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.7 t80 -129.13 168.64 15.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.516 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 25.8 tp10 -136.37 119.95 17.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.91 110.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -65.42 -47.56 75.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 p -129.44 163.5 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 t -52.65 -23.08 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -77.12 -27.41 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.69 150.66 24.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.619 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -97.32 128.5 44.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -85.55 137.11 33.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.662 ' CE1' HG22 ' A' ' 76' ' ' ILE . 19.5 p90 -153.78 168.72 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -132.99 170.91 14.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -68.84 105.38 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.22 32.07 2.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 21.1 tt0 -126.03 137.35 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.506 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 65.6 mtt180 -90.68 163.59 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 47.5 m-85 -160.13 133.81 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -81.61 114.11 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.7 mm -66.87 109.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 66' ' ' ARG . 13.6 mt -85.1 -48.43 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -137.06 128.62 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -121.6 41.96 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 59' ' ' GLU . 10.1 t -83.96 -44.58 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' N ' HG23 ' A' ' 58' ' ' THR . 22.4 mt-10 -82.83 98.62 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.32 -37.69 25.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.16 -54.35 47.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 35.8 m95 -133.88 140.15 46.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 78' ' ' SER . 53.7 m0 -110.95 143.01 42.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -91.48 118.26 30.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.15 159.88 40.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.717 ' HB2' HD11 ' A' ' 55' ' ' ILE . 17.6 ttt180 -117.68 109.26 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.9 p -50.56 132.96 25.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.1 mt -89.37 -30.02 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.162 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.42 -53.77 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.8 p -92.39 -54.52 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.1 5.88 11.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -70.81 176.74 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.5 p -156.06 139.85 16.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.476 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . -178.03 -135.05 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.441 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.411 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 18.4 m-85 -132.48 124.4 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.873 HD12 HG11 ' A' ' 81' ' ' VAL . 38.7 pt -121.18 138.08 27.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.72 115.19 3.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.327 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.559 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 17.4 t -52.38 -41.77 63.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -49.41 -17.8 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -102.96 -36.66 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.873 HG11 HD12 ' A' ' 76' ' ' ILE . 35.7 m -102.0 137.03 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.627 HG11 HD11 ' A' ' 33' ' ' LEU . 1.5 m -128.37 153.07 79.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.447 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.4 Cg_endo -69.79 133.78 26.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.286 . . . . 0.0 112.315 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.69 -5.56 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -96.18 -41.65 8.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.4 m -108.5 25.06 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.454 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.93 103.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.179 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -78.62 -25.95 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.578 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -113.82 26.08 10.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.632 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.65 -28.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 89' ' ' ALA . 43.6 mt-10 -38.87 -31.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.697 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 35.2 p-90 -62.07 -47.37 84.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.697 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -77.48 -31.91 53.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.632 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.9 m-85 -60.63 -46.79 88.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -80.48 -38.36 17.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' GLY . 7.9 tmtt? -33.65 -61.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.318 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 15.3 ttp -46.94 154.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -41.31 -46.33 4.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -51.05 102.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -66.24 121.32 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -104.65 -46.38 4.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.23 157.36 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.85 161.09 14.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t -117.3 123.48 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -48.74 175.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 93.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t -170.03 166.0 9.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.7 p -121.89 152.01 40.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -164.33 150.33 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -58.87 130.68 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -125.73 150.89 17.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' GLY . 24.4 m -37.31 150.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.898 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -80.19 -52.52 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.21 99.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.21 93.53 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.6 p -127.84 127.01 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 t -123.64 148.76 46.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.1 p -116.11 -46.66 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -112.69 175.05 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -172.67 125.12 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.9 m -84.89 160.18 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.0 t -113.16 141.42 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -114.95 127.24 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -56.59 178.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.817 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.7 t -81.92 52.12 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -125.58 150.64 68.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.742 . . . . 0.0 110.94 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 140.95 43.84 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.9 p -105.64 135.36 47.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.8 57.51 6.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.684 ' H ' HD12 ' A' ' 23' ' ' LEU . 4.2 mp -71.78 -19.64 61.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -63.94 156.56 27.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.14 -84.46 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.98 124.06 0.84 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t -101.13 144.01 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.0 m -112.53 134.22 54.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.24 136.81 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.527 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 13.2 m-85 -138.24 142.86 39.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 t -118.57 146.85 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.83 114.11 26.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.631 HD11 ' CG1' ' A' ' 82' ' ' VAL . 8.7 mt -80.63 -34.37 35.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -116.55 147.96 41.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -77.39 124.46 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.582 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 87.9 t80 -126.76 163.92 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 35.7 tt0 -135.34 121.71 20.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB3' ' OG ' ' A' ' 45' ' ' SER . . . -52.57 106.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -60.33 -46.25 90.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.9 p -127.71 154.94 44.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.9 m -44.23 -26.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.75 -39.1 76.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -76.47 153.99 35.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.65 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -98.29 131.73 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.483 ' OG ' ' HB3' ' A' ' 38' ' ' ALA . 44.3 m -85.21 116.05 23.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.782 ' CD1' HG22 ' A' ' 76' ' ' ILE . 34.6 p90 -134.08 158.17 44.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -124.86 160.93 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -59.71 113.93 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.2 22.76 9.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 16.9 tt0 -116.52 135.96 53.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -90.25 159.41 16.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.672 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 55.4 m-85 -156.27 135.04 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -81.64 112.23 18.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.6 mm -65.91 108.85 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.733 HD11 ' HB2' ' A' ' 66' ' ' ARG . 26.3 mt -83.99 -56.28 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -126.33 127.13 45.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -119.2 41.12 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 59' ' ' GLU . 9.7 t -83.99 -43.28 15.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' N ' HG23 ' A' ' 58' ' ' THR . 18.7 mt-10 -89.52 101.88 14.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.03 50.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.2 -49.75 76.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.532 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 44.6 m95 -139.9 132.99 29.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.532 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.6 m0 -107.4 142.41 37.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -90.95 115.67 28.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.06 165.12 23.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.733 ' HB2' HD11 ' A' ' 55' ' ' ILE . 15.7 ttt85 -124.13 106.92 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -42.96 139.77 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.6 mt -94.68 -24.39 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.1 -59.91 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -81.75 -36.54 28.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.81 12.51 55.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -72.63 173.59 8.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.7 p -154.63 139.9 17.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.469 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 178.9 -134.83 2.42 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.449 ' H ' ' N ' ' A' ' 44' ' ' LEU . 20.7 m-85 -132.41 123.28 26.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.915 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.782 HG22 ' CD1' ' A' ' 46' ' ' PHE . 25.7 pt -116.48 140.14 26.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 111.144 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.532 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.0 Cg_endo -69.81 122.16 8.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.532 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 54.1 p -68.04 -2.77 8.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -91.07 -2.21 57.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.88 -34.79 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.574 HG21 HD12 ' A' ' 76' ' ' ILE . 34.2 m -102.07 140.84 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.179 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.631 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -130.35 153.07 81.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.527 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.2 Cg_endo -69.82 134.1 27.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.47 -5.81 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -96.22 -41.74 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.08 23.97 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.8 OUTLIER -33.2 103.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.78 -22.68 49.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -118.5 27.33 9.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.0 pt-20 -35.24 -30.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ALA . 15.5 mt-10 -37.6 -32.24 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.668 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 30.0 p-90 -62.82 -46.16 89.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.668 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.61 -30.88 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.488 ' CZ ' ' OH ' ' A' ' 93' ' ' TYR . 8.8 m-85 -61.69 -46.97 87.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -84.92 -40.92 7.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 95' ' ' GLY . 39.2 tttp -34.47 -58.35 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.7 tpt -64.59 131.34 46.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -49.87 114.53 2.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 100' ' ' LYS . 6.7 ttm180 -127.78 159.86 33.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ARG . 34.3 mmtm -34.4 -45.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.99 90.72 3.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -124.29 92.64 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -63.55 94.94 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 95.1 p -59.62 139.11 57.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -122.3 146.63 16.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.11 39.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.382 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -161.46 162.34 30.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.6 p -170.84 144.36 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 1' ' ' GLY . 59.9 m 35.05 51.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -107.73 169.58 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.2 156.18 8.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -173.58 160.05 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.811 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -135.48 178.7 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.15 146.22 2.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.96 132.34 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.3 t -155.82 121.61 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -100.85 92.84 5.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 m -149.36 108.02 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -157.69 138.16 12.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.3 m -159.06 120.5 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 14' ' ' VAL . 33.5 m -126.32 126.9 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.03 -45.86 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.7 p -166.81 155.49 10.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -98.35 89.99 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.6 p -123.42 87.66 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.559 ' CG ' ' HD2' ' A' ' 20' ' ' PRO . 22.8 t80 -38.09 140.32 0.58 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.7 0.762 . . . . 0.0 110.926 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.559 ' HD2' ' CG ' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.74 161.64 45.14 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.6 p -128.05 -26.23 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.3 48.1 3.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 mt -60.61 -21.25 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.916 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.0 m -157.12 129.18 7.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.41 -124.23 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.69 -39.44 5.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.71 139.02 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -124.43 129.96 51.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.405 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 12.8 mm -76.9 145.35 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.537 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 15.6 m-85 -144.49 141.8 29.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -118.59 147.17 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.05 115.08 27.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.593 HD22 ' CD1' ' A' ' 92' ' ' TRP . 6.3 mt -81.48 -31.72 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -118.12 145.7 44.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.16 128.11 33.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 83.2 t80 -126.46 168.21 14.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 8.5 tt0 -135.02 118.92 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.88 110.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -64.27 -46.61 82.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 p -128.71 155.03 45.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -43.76 -29.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -67.99 -38.75 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -74.6 148.68 40.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.626 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -93.03 130.25 38.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 p -87.41 113.17 22.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.699 ' CD1' HG22 ' A' ' 76' ' ' ILE . 17.8 p90 -126.43 163.98 22.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -125.91 165.19 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -66.12 108.09 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.95 21.99 8.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 tp10 -112.45 142.3 45.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 22.3 mtt85 -94.98 160.01 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 39.8 m-85 -157.71 135.4 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -81.91 111.76 18.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.468 HG13 ' CD1' ' A' ' 30' ' ' PHE . 43.9 mm -66.61 106.04 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 66' ' ' ARG . 16.4 mt -82.48 -50.64 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -135.15 125.27 26.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.552 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 42.3 p30 -125.27 41.68 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 59' ' ' GLU . 8.0 t -68.96 -45.2 71.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.474 ' N ' HG23 ' A' ' 58' ' ' THR . 9.7 pt-20 -107.57 122.23 46.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.9 -41.71 96.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -38.87 -52.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.336 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.544 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 58.1 m95 -147.18 133.38 19.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.586 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 42.9 m0 -111.34 141.0 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -87.68 115.54 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -132.28 159.37 39.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.649 ' HB2' HD11 ' A' ' 55' ' ' ILE . 12.9 ttt180 -120.1 105.95 11.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 m -43.74 139.63 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mt -94.75 -23.51 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.26 -63.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -80.34 -35.15 35.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.22 15.78 46.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -75.41 173.61 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.4 p -155.53 138.45 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.465 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 179.6 -133.12 1.97 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.503 ' H ' ' N ' ' A' ' 44' ' ' LEU . 21.6 m-85 -132.53 127.15 34.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.884 0.373 . . . . 0.0 110.911 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.699 HG22 ' CD1' ' A' ' 46' ' ' PHE . 26.6 pt -121.81 140.21 31.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.544 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.3 Cg_endo -69.75 122.14 8.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.306 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.586 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 59.7 p -66.89 -4.45 9.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -88.67 -3.06 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.74 -34.06 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.595 HG21 HD12 ' A' ' 76' ' ' ILE . 35.8 m -102.3 146.59 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.36 153.17 72.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 54.0 Cg_endo -69.79 133.86 26.53 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -5.18 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.82 -41.74 8.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -108.2 23.56 14.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.454 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.9 OUTLIER -33.62 103.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -78.04 -28.44 49.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -110.58 25.68 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.648 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.81 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 89' ' ' ALA . 49.6 mt-10 -39.15 -30.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.67 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 33.6 p-90 -62.33 -45.19 94.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.67 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -80.23 -32.19 38.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 11.2 m-85 -60.03 -53.05 62.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.75 -38.89 10.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -94.17 111.86 23.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.9 mtp -43.27 120.93 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.6 -54.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.543 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -174.15 140.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.14 134.8 54.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' ALA . 9.2 p-10 -142.79 106.49 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' ASP . . . -37.74 112.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -158.63 118.42 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.8 t -74.58 96.62 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -93.17 145.67 17.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -34.55 14.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.264 . . . . 0.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.9 p -71.82 133.06 45.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 t -114.63 84.23 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -145.35 150.34 36.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -78.19 -47.9 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.31 130.73 1.61 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -153.12 137.56 16.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 m -148.07 163.1 37.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.46 -152.72 22.6 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.01 177.2 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -106.09 -44.45 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.8 p -149.52 134.23 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' PHE . 86.6 p -114.01 110.1 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.825 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' SER . 4.7 t80 -35.42 134.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.4 p -128.86 150.99 50.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -124.68 132.37 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.47 88.91 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.188 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 m -140.27 141.4 35.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t 40.1 46.35 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -62.15 136.08 57.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -88.88 151.51 47.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.725 0.774 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.447 ' O ' HD21 ' A' ' 23' ' ' LEU . 54.1 Cg_endo -69.72 153.82 68.63 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.3 p -78.13 -176.97 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.83 43.17 96.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.447 HD21 ' O ' ' A' ' 20' ' ' PRO . 62.3 mt -76.44 118.23 18.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.8 p -128.24 104.33 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.28 -125.17 0.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.538 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.68 -42.9 12.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.46 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.2 t -96.35 137.73 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 111.168 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.2 m -110.18 136.3 49.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.416 ' HA ' HD13 ' A' ' 29' ' ' ILE . 9.8 mm -76.24 135.99 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.4 m-85 -138.57 143.95 39.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -118.73 147.45 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 81' ' ' VAL . . . -90.74 111.45 22.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.758 HD11 ' CG1' ' A' ' 82' ' ' VAL . 9.8 mt -76.6 -33.75 58.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -118.32 154.76 31.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -85.82 123.35 31.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.575 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 81.9 t80 -122.52 168.17 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 12.5 tt0 -135.14 121.71 20.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.475 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.59 112.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -67.28 -46.97 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' ASP . 31.0 p -130.64 158.02 41.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.6 m -44.12 -32.51 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.188 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -69.15 -36.79 77.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' THR . 3.9 m-20 -74.22 147.44 42.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.758 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -99.05 125.67 44.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.475 ' N ' ' HB2' ' A' ' 38' ' ' ALA . 36.5 t -84.69 143.48 29.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.71 ' CE1' HG22 ' A' ' 76' ' ' ILE . 6.2 p90 -154.72 166.7 32.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -126.85 160.08 32.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -60.7 113.08 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.97 28.77 6.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 tp10 -118.54 146.29 44.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.59 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 18.6 mtt85 -100.53 162.2 13.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CZ ' ' HB3' ' A' ' 46' ' ' PHE . 19.0 m-85 -160.7 134.99 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 68' ' ' ILE . 43.8 mt-30 -81.49 114.51 20.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.462 HD13 ' HB2' ' A' ' 65' ' ' ALA . 42.9 mm -67.85 106.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 66' ' ' ARG . 14.0 mt -81.71 -49.61 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -129.49 133.25 47.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -127.7 36.5 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -84.34 -35.21 23.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -94.53 96.66 9.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -48.76 -40.5 25.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.507 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -54.65 -54.36 42.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.52 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 46.6 m95 -135.96 134.3 38.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 48.1 m0 -105.83 143.64 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -91.77 113.19 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.462 ' HB2' HD13 ' A' ' 54' ' ' ILE . . . -130.44 160.27 34.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.693 ' HB2' HD11 ' A' ' 55' ' ' ILE . 33.6 ttp180 -119.32 107.02 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.446 ' HG ' ' HD2' ' A' ' 52' ' ' PHE . 2.1 m -46.08 134.42 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.464 HD11 ' HG3' ' A' ' 53' ' ' GLN . 10.9 mt -90.98 -37.97 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.61 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.5 p -89.6 -56.74 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.62 21.05 2.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -76.18 175.08 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 110.867 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.0 p -156.23 142.8 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.472 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 174.97 -138.01 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.457 ' N ' ' HB2' ' A' ' 44' ' ' LEU . 17.9 m-85 -131.33 113.97 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.758 HG23 ' HB3' ' A' ' 44' ' ' LEU . 22.5 pt -106.31 141.09 22.03 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.732 . . . . 0.0 111.156 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.52 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 120.52 7.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.593 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 66.8 p -66.55 -5.66 12.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -87.93 -2.08 58.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.73 -33.6 4.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 32' ' ' ALA . 27.9 m -102.22 141.65 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.758 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -130.33 153.0 81.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.549 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.1 Cg_endo -69.84 133.42 25.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.316 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.57 -6.53 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -95.63 -41.75 8.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' ILE . 1.5 m -109.52 25.57 11.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.438 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -35.24 103.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -77.06 -21.93 53.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.517 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -119.48 27.49 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.636 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 2.5 pt-20 -34.82 -31.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ALA . 44.3 mt-10 -37.15 -33.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.69 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 29.3 p-90 -62.63 -48.01 81.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.69 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -78.4 -31.11 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.83 -45.15 95.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -82.7 -36.97 14.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' GLY . 4.9 tptm -33.43 -69.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 36.9 ttm -95.17 155.03 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.37 -118.8 6.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -124.46 169.0 12.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.86 166.11 32.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.54 -60.86 2.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -168.53 145.23 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -138.58 149.26 45.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.3 p -122.39 138.94 54.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.27 125.85 1.39 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -48.54 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.353 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.5 m -69.45 108.06 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.4 m -62.02 -43.78 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -109.12 165.68 11.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -147.17 161.21 41.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.04 41.25 1.56 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -148.53 143.81 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.351 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -146.93 145.62 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.9 141.55 6.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.06 166.12 10.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.0 t -92.47 -53.19 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.0 p -104.44 102.54 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -73.09 154.28 40.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -114.95 136.51 53.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.0 m -69.28 -69.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -129.03 132.75 67.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.5 m -130.53 37.78 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.3 m -96.19 119.41 34.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -170.73 175.95 4.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.0 p -165.95 118.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -120.95 151.65 55.25 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.785 ' HG2' HD21 ' A' ' 23' ' ' LEU . 53.9 Cg_endo -69.7 -172.49 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.7 p -123.12 -178.03 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.43 58.77 3.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.785 HD21 ' HG2' ' A' ' 20' ' ' PRO . 79.7 mt -90.21 -21.1 22.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.9 m -142.85 148.88 37.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.5 64.51 0.27 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.529 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.35 -56.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.1 t -102.1 148.96 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -107.34 127.04 53.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.424 ' HA ' HD13 ' A' ' 29' ' ' ILE . 9.1 mm -70.93 132.96 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 83' ' ' PRO . 12.2 m-85 -135.56 143.48 45.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.0 t -117.74 147.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.87 110.15 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.058 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.652 HD11 ' CG1' ' A' ' 82' ' ' VAL . 10.0 mt -78.0 -33.8 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.49 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 1.3 m-85 -116.9 149.7 39.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.67 125.42 30.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 87.9 t80 -123.2 169.04 11.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.508 ' N ' ' CG ' ' A' ' 36' ' ' TYR . 28.6 tt0 -137.7 118.38 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' HB2' ' N ' ' A' ' 45' ' ' SER . . . -51.62 106.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -64.83 -45.09 87.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.4 p -132.25 151.34 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -41.74 -27.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -66.07 -43.22 88.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -77.61 153.35 33.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.649 ' HB3' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -94.93 132.62 39.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.483 ' H ' HD23 ' A' ' 44' ' ' LEU . 3.3 p -86.87 115.65 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.718 ' CD1' HG22 ' A' ' 76' ' ' ILE . 22.4 p90 -131.01 173.09 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -138.94 163.36 32.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -61.63 116.72 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.19 28.1 8.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 19.0 tt0 -123.05 133.07 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.505 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 46.0 mtt180 -86.57 164.49 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.645 ' CZ ' ' CB ' ' A' ' 46' ' ' PHE . 64.1 m-85 -160.22 135.44 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.55 114.02 20.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.09 110.48 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.75 HD11 ' HB2' ' A' ' 66' ' ' ARG . 21.2 mt -84.71 -52.73 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -131.7 129.5 40.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -120.57 42.72 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.3 t -87.82 -33.87 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -98.7 98.55 9.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.15 -44.13 42.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -51.44 -51.28 56.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.482 ' CZ3' ' HD3' ' A' ' 77' ' ' PRO . 46.0 m95 -139.97 131.33 26.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.502 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 43.4 m0 -104.72 142.64 34.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -89.15 113.7 24.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.53 166.25 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.75 ' HB2' HD11 ' A' ' 55' ' ' ILE . 7.0 ttt180 -127.01 103.33 7.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.48 143.32 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.0 mt -93.43 -62.1 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.7 -64.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.1 p -76.78 -57.83 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.55 15.21 7.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -70.79 175.53 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.1 p -154.73 143.32 20.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.477 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 173.89 -140.93 5.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.485 ' H ' ' N ' ' A' ' 44' ' ' LEU . 23.4 m-85 -128.52 121.0 27.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.945 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.718 HG22 ' CD1' ' A' ' 46' ' ' PHE . 30.4 pt -112.24 140.35 23.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.538 ' HD2' ' CZ ' ' A' ' 46' ' ' PHE . 53.5 Cg_endo -69.75 116.85 4.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . 80.4 p -63.81 -7.1 6.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -86.72 -1.42 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.49 ' CD2' ' HB2' ' A' ' 34' ' ' TYR . 3.2 m-85 -120.02 -34.2 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.499 HG21 HD12 ' A' ' 76' ' ' ILE . 33.1 m -102.09 138.81 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.652 ' CG1' HD11 ' A' ' 33' ' ' LEU . 1.5 m -127.55 152.88 77.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.542 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 53.9 Cg_endo -69.76 131.77 21.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.98 -7.76 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.03 -41.81 9.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -109.68 28.8 8.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.46 ' CG2' ' HE1' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -40.36 103.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.48 -27.17 46.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 91' ' ' GLU . . . -111.97 25.96 11.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.638 ' CD ' ' CE2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.83 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 89' ' ' ALA . 13.7 mt-10 -38.96 -31.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.698 ' CE3' ' N ' ' A' ' 93' ' ' TYR . 34.5 p-90 -62.05 -47.23 85.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.698 ' N ' ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -77.82 -31.97 51.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.638 ' CE2' ' CD ' ' A' ' 90' ' ' GLU . 10.9 m-85 -60.58 -46.36 90.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' LYS . . . -81.05 -39.15 13.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.452 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' GLY . 40.8 tptt -33.76 -68.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.329 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -49.62 138.18 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.31 -55.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -65.02 135.81 56.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -52.46 156.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -150.76 153.53 35.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -122.27 143.82 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -174.9 169.79 3.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.1 m -155.02 137.49 15.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.92 65.76 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -178.02 2.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.733 2.288 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.3 t -160.38 112.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.4 p -108.1 170.74 7.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.979 . . . . . . . . 0 0 . 1 stop_ save_